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C. M. Nunes graduated in Chemistry from the University of Coimbra in 2004 (best student), obtained his MSc degree in Organic Chemistry in 2007 and his PhD degree in Molecular Spectroscopy in 2012. Worked as a postdoctoral researcher at the Laboratory for Molecular Cryospectroscopy and Biospectroscopy from 2013 to 2018. Besides a short postdoctoral position at the Department of Chemistry of the University of Fribourg (Switzerland), he also spent several months working as a visiting researcher at the Organometallic Chemistry Institute of the University of Oviedo (Spain), the Department of Chemistry of the University of Wisconsin-Madison (USA), and the Institute of Organic Chemistry of the Justus-Liebig University Giessen (Germany). Started his independent research career in 2019 at the Coimbra Chemistry Centre as an Auxiliary Researcher funded by the Portuguese Foundation for Science and Technology (ranked 3rt in 109 candidates). In late 2023, he was appointed Assistant Professor at the Department of Chemistry of the University of Coimbra. C. M. Nunes has published 55 papers in international peer-reviewed journals, over 50 conference proceedings, and contributed to 3 books. Highlight for 22 publications as a corresponding author and several papers in highly prestigious journals such as J. Am. Chem. Soc., Angew. Chem., and Chem. Soc. Rev. Several of his works have been selected by editorial boards, such as VIP papers in Angew. Chem. and Chem. Eur. J., a spotlight in J. Am. Chem. Soc., HOT articles in Phys. Chem. Chem. Phys., and an interview in Chemistry World. He has been invited to deliver keynote lectures at several scientific conferences and to serve as a referee in reputable journals (e.g., Nat. Commun, J. Am. Chem. Soc., Angew. Chem.). Has also served as a guest editor for two scientific journals and is currently an Associate Editor of the J. Mol. Struct. (IF = 3.84, Elsevier). He has lectured on several courses at the Department of Chemistry of the University of Coimbra. Supervised several MSc and BSc students, IAESTE international internships, and MSc-holder and Postdoc research projects. Currently, he is (co)supervising 2 Postdoc, 1 PhD and 1 MSc students. C. M. Nunes has been serving as the subdirector of the Coimbra Chemistry Centre and has been assuming management activities within the Coimbra Laser Lab research platform since 2019. He is also currently the coordinator of the Laboratory for Molecular Cryospectroscopy group. He was awarded with a grant project as PI (aCTIVE [2018-2022]: ~240 k EUR) and other as co-PI (QUANTUN [2021-2025]: ~250 k EUR), and an advanced computing project as PI (TUNCHEM [2023]: ~100 k CPU core.hours). His pioneering research program is focused on quantum tunneling chemistry, IR vibrational excitation chemistry, multidimensional tunneling computations, organic mechanisms and reactive intermediates, development of new organic reactions and organocatalysts.
Identification

Personal identification

Full name
CLÁUDIO MANAIA NUNES

Citation names

  • Nunes, C. M.
  • C. M. Nunes

Author identifiers

Ciência ID
9512-4DC6-CB21
ORCID iD
0000-0002-8511-1230
Google Scholar ID
X0XKzacAAAAJ
Scopus Author Id
57211988801

Addresses

  • Department of Chemistry, University of Coimbra, Rua Larga 2, 3004-535 , Coimbra, Coimbra, Portugal (Professional)

Websites

Knowledge fields

  • Exact Sciences - Chemical Sciences - Organic Chemistry
  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
English Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
Spanish; Castilian Advanced (C1) Advanced (C1) Intermediate (B1) Advanced (C1) Advanced (C1)
French Intermediate (B1) Intermediate (B1) Beginner (A1) Intermediate (B1) Intermediate (B1)
Education
Degree Classification
2007/03 - 2012/04
Concluded
Chemistry (Doutoramento)
Major in Molecular Spectroscopy
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
"Study of Thermal and Photochemistry of Isoxazoles by Matrix-Isolation and FTIR Spectroscopy" (THESIS/DISSERTATION)
Approved with distinction and honor by unanimity
2004/09 - 2007/04
Concluded
Chemistry (Mestrado)
Major in Organic Chemistry
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
"Pericyclic Reactions of Novel Dipolar Systems: Synthesis of Functionalized Heterocycles" (THESIS/DISSERTATION)
18 / Muito bom
1999/09 - 2004/06
Concluded
Chemistry (Licenciatura)
Major in Industrial Chemistry
Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal
15 (best final mark)
Affiliation

Science

Category
Host institution
Employer
2019/05 - 2023/08/31 Auxiliary Researcher (Research) Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2020/09 - 2020/10 Visiting Researcher (Research) Institute of Organic Chemistry, Justus-Liebig University Giessen, Germany, Germany
Institute of Organic Chemistry, Justus-Liebig University Giessen, Germany
2019/01 - 2019/04 Research Assistant (Research) Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019/01 - 2019/01 Visiting Researcher (Research) IPREM, University of Pau and Pays de l'Adour, France
IPREM, University of Pau and Pays de l'Adour, France
2018/03 - 2018/04 Visiting Researcher (Research) Institute of Organic Chemistry, Justus-Liebig University Giessen, Germany
Institute of Organic Chemistry, Justus-Liebig University Giessen, Germany
2013 - 2018 Postdoc (Research) Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2016/07 - 2016/07 Visiting Researcher (Research) Institute of Physics, Polish Academy of Sciences, Warsaw, Poland
Institute of Physics, Polish Academy of Sciences, Warsaw, Poland
2015/09 - 2015/12 Visiting Researcher (Research) Department of Chemistry, University of Wisconsin-Madison, United States
Department of Chemistry, University of Wisconsin-Madison, United States
2014/06 - 2014/06 Visiting Researcher (Research) Faculty of Chemistry, University of Wroclaw, Poland
Faculty of Chemistry, University of Wroclaw, Poland
2013 - 2013 Postdoc (Research) Université de Fribourg, Switzerland
Department of Chemistry, University of Fribourg, Switzerland
2009/08 - 2009/11 Visiting Researcher (Research) Institute for Physical Chemistry, University of Fribourg, Switzerland
Institute for Physical Chemistry, University of Fribourg, Switzerland
2008/03 - 2008/06 Visiting Researcher (Research) Organometallic Chemistry Institute, University of Oviedo, Spain
Organometallic Chemistry Institute, University of Oviedo, Spain

Teaching in Higher Education

Category
Host institution
Employer
2023/09/01 - Current Assistant Professor (University Teacher) Universidade de Coimbra, Portugal
Department of Chemistry, University of Coimbra, Portugal
2004/12 - 2005/06 Assistant (University Teacher) Universidade de Coimbra, Portugal
Department of Chemistry, University of Coimbra, Portugal

Positions / Appointments

Category
Host institution
Employer
2024/01/04 - Current Coordinator of the Reseach Group of the Laboratory for Molecular Cryospectroscopy Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2024/01 - Current Organic Unit Sub-director Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019 - Current Co-Coordinator Universidade de Coimbra, Portugal
Coimbra Laser Lab, Department of Chemistry, University of Coimbra, Portugal
2021/11 - 2023/12 Organic Unit Sub-director Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019/10 - 2021/09 Organic Unit Sub-director Universidade de Coimbra, Portugal
Coimbra Chemistry Centre, University of Coimbra, Portugal

Others

Category
Host institution
Employer
2023/06/15 - Current Associate Editor of the Journal of Molecular Structure Elsevier BV, Netherlands
Projects

Grant

Designation Funders
2019 - 2020 Exploring Competitive Heavy-Atom Tunneling Reactions Using Experiment and Theory
Bilateral Project
Researcher
Coimbra Chemistry Centre, University of Coimbra, Portugal

Institute of Organic Chemistry, Justus-Liebig University Giessen, Germany
FCT (Portugal) / DAAD (Germany),
Concluded
2018 - 2019 Kinetically Unstable Compounds: Tautomerism and Photoinduced Rearrangements with Characterization at Very Low-Temperatures
Bilateral Project
Researcher
Coimbra Chemistry Centre, University of Coimbra, Portugal

Institut des Sciences Chimiques de Rennes, France

Université de Pau et des Pays de l'Adour, France
FCT (Portugal) / Programme PESSOA (France)
Concluded
2015 - 2016 Photoinduced Isomerizations in Nucleic Acid Base Analogues
Bilateral Project
Researcher
Coimbra Chemistry Centre, University of Coimbra, Portugal

Institute of Physics of Polish Academy of Sciences, Poland
FCT (Portugal) / Ministry of Science and Higher Education (Poland)
Concluded
2013 - 2014 Photochemical Transformations of Biologically Important Molecules (Phenols and Tetrazoles) Using UV and NIR Laser Irradiation
Bilateral Project
Researcher
Coimbra Chemistry Centre, University of Coimbra, Portugal

Faculty of Chemistry, University of Wroclaw, Poland
FCT (Portugal) / Ministry of Science and Higher Education (Poland)
Concluded

Contract

Designation Funders
2022/09/01 - Current RESETFINAS - Set-up for Modification of Rosin Resins to Promote the Compatibility of their Derivatives with Polyolefins Produced by Metallocene Catalysis
Researcher
Universidade de Coimbra, Portugal

United Resins, Portugal
PRR (Plano de Recuperação e Resiliência)
Ongoing
2022/09/01 - Current RESFINAS - Modification of Rosin Resins to Promote the Compatibility of their Derivatives with Polyolefins Produced by Metallocene Catalysis
Researcher
Universidade de Coimbra, Portugal

United Resins, Portugal
PRR (Plano de Recuperação e Resiliência)
Ongoing
2022/09/01 - Current ReMade@ARI - REcyclable MAterials DEvelopment at Analytical Research Infrastructures
Researcher
Coimbra Laser Lab, Department of Chemistry, University of Coimbra, Portugal

Helmholtz-Zentrum Dresden-Rossendorf, Germany
European Union
Ongoing
2021/03/29 - Current Quantum Mechanical Tunneling in Organic Chemistry: New Reactivity Paradigms and Avenues for Molecular Design
Co-Principal Investigator (Co-PI)
Universidade de Coimbra, Portugal

Ben-Gurion University of the Negev, Israel
Fundação para a Ciência e a Tecnologia
Ongoing
2023/04 - 2033/10 Multidimensional Tunneling Calculations: Exploring New Reactivity Paradigms to Drive Chemical Transformations
Principal investigator
Universidade de Coimbra, Portugal
Rede Nacional de Computação Avançada

Fundação para a Ciência e a Tecnologia
Concluded
2018/07/26 - 2022/07/25 Chemistry Triggered by Infrared Vibrational Excitation: Developing a Powerful Tool for Highly-Selective Molecular Structure Manipulation
PTDC/QUI-QFI/28973/2017
Principal investigator
Universidade de Coimbra, Portugal
Fundação para a Ciência e a Tecnologia

COMPETE 2020
Concluded
2016/06/01 - 2019/10/01 The Birth of High-Energy Crystals from Isolated Molecules – The Unsuspected Parenthood of Rare Conformers
Researcher
Universidade de Coimbra, Portugal

Sarspec, Lda, Portugal
Fundação para a Ciência e a Tecnologia

FEDER
Concluded
2012 - 2015 Photochemical Behavior of New Azides: Gateway to Nitrenes
Researcher
Universidade de Coimbra, Portugal

Universidade do Porto, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2012 - 2013/01/31 Optical Control of Conformationally Dependent Photochemical Reactions
Post-doc Fellow
Universidade de Coimbra, Portugal
Fundação para a Ciência e a Tecnologia

COMPETE
Concluded
2008/11/15 - 2012/01/31 Thermal reactivity and optically controlled photochemistry of three-membered ring nitrogen containing compounds, as probed by matrix-isolation infrared spectroscopy, differential scanning calorimetry and quantum chemical calculations
Researcher
Universidade de Coimbra, Portugal
Fundação para a Ciência e a Tecnologia

COMPETE
Concluded
2008/01/01 - 2010/12/31 Chiral Allenes as Tools in the Synthesis of Cyclic and Acyclic Amino Esters
Researcher
Universidade de Coimbra, Portugal
Fundação para a Ciência e a Tecnologia

COMPETE
Concluded
2005/07/15 - 2008/01/14 Pyrrolo[1,2-c]Thiazoles as Building Blocks in Organic Synthesis: Approaches to Structures with Biological Activity
Master Student Fellow
Chymiotechnon - Instituto de Ciência, Tecnologia e Inovação em Química, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Book chapter
  1. Roque, J.P.L.; Nunes, C.M.; Fausto, R.. "Matrix Isolation in Heterocyclic Chemistry". In Heterocycles - Synthesis, Catalysis, Sustainability and Characterization, edited by Pinho e Melo, T.M.V.D.; Pinheiro, M., 401-451. Weinheim: Wiley-VCH, 2022.
    10.1002/9783527832002.ch12
  2. Nunes, C.M.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "Direct Observation of Tunnelling Reactions by Matrix Isolation Spectroscopy". In Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry, edited by Kästner, J.; Kozuch, S., 1-60. Cambridge: Royal Society of Chemistry, 2021.
    10.1039/9781839160370-00001
Conference poster
  1. José P. L. Roque; Nunes, C. M.; Luís P. Viegas; Srinivas Doddipatla; Samuel A. Wood; Robert J. McMahon; Rui Fausto. "Simultaneous Tunneling Control in Conformer Specific Reactions". Paper presented in 1st Thematic School on Electronic and Vibrational Spectroscopies Applied to Reaction Mechanisms, 2023.
  2. José P. L. Roque; Nunes, C. M.; Luís P. Viegas; Srinivas Doddipatla; Samuel A. Wood; Robert J. McMahon; Rui Fausto. "Simultaneous Tunneling Control in Conformer Specific Reactions". Paper presented in 28th National Meeting of the Portuguese Chemical Society, 2023.
  3. Nelson A. M. Pereira; Nunes, C. M. ; Igor Reva; Rui Fausto. "Tautomerization of Thiotropolone Explored Under Different Conditions: Cryogenic Noble Gas Matrices and Neat Solid State". Paper presented in 3rd Chemistry Center Day, 2021.
  4. Nunes, C. M. ; José P. L. Roque; Srinivas Doddipatla; Samuel A. Wood; Robert J. McMahon; Rui Fausto. "Simultaneous Tunneling Control in Conformer Specific Reactions". Paper presented in 3rd Chemistry Center Day, 2021.
  5. José P. L. Roque; Nunes, C. M. ; Luís P. Viegas; Nelson A. M. Pereira; Teresa M. D. V. Pinho e Melo; Rui Fausto. "H-Tunneling Activated by Vibrational Excitation". Paper presented in 14th National Physical Chemistry Meeting, 2021.
  6. Igor Reva; Nunes, C. M. ; Rui Fausto; A. J. Lopes Jesus. "Control of Molecular Conformation with Near-Infrared Laser Light". Paper presented in 26th National Meeting of the Portuguese Chemical Society, 2019.
  7. Sándor Góbi; Nunes, C. M. ; Igor Reva; Rui Fausto. "Chemistry Triggered by Infrared Vibrational Excitation - A Case Study of Thiourea". Paper presented in 34th European Congress on Molecular Spectroscopy, 2018.
  8. A. J. Lopes Jesus; Nunes, C. M. ; Igor Reva; Rui Fausto. "Conformational Control of an Aldehyde Fragment by Selective Vibrational Excitation of Interchangeable Remote Antennas". Paper presented in 34th European Congress on Molecular Spectroscopy, 2018.
  9. Nunes, C. M. ; Igor Reva; Rui Fausto; Sam A. Wood; Robert J. McMahon. Corresponding author: Nunes, C. M.. "Cyclization of Triplet 2-Formyl-Phenylnitrene to 2,1-Benzisoxazole: A New Heavy-atom Tunneling Event?". Paper presented in 24th IUPAC Conference on Physical Organic Chemistry, 2018.
  10. Nunes, C. M. ; Igor Reva; Rui Fausto; André, K. Eckhardt; Peter R. Schreiner. Corresponding author: Nunes, C. M.. "Competitive Nitrogen vs Carbon Tunneling in a Benzazirine". Paper presented in International Symposium on Reactive Intermediates and Unusual Molecules, 2018.
  11. Sandra M. V. Pinto; Nunes, C. M. ; Igor Reva; Rui Fausto,. "On the Photochemistry of 3-Amino-1,2-Benzisoxazole: The Unexpected Photoisomerization of an Amino-Spiro-2H-Azirine to a 1H-Diazirine". Paper presented in 28th International Conference on Photochemistry, 2017.
  12. Nunes, C. M. ; Igor Reva; Sebastian Kozuch; Robert J. McMahon; Rui Fausto. Corresponding author: Nunes, C. M.. "Photochemistry of Triplet 2-Formyl-Phenylnitrene in Low-Temperature Matrix: Heavy-Atom Tunneling of Benzazirine into Cyclic Ketenimine". Paper presented in International Symposium on Reactive Intermediates and Unusual Molecules, 2017.
  13. Sandra M. V. Pinto; Nunes, C. M. ; Igor Reva; Rui Fausto. "Generation of a Higher-Energy Conformer of 2-Cyanophenol Isolated in Low-Temperature Matrices". Paper presented in 5th Portuguese Young Chemists Meeting, 2016.
  14. Sandra M. V. Pinto; Nunes, C. M. ; Igor Reva; Rui Fausto. "Photochemistry of 1,2-Benzisoxazoles in Low-Temperature Matrices". Paper presented in MOLecules In Motion, From Potentials to Dynamics: The Starting Journey (COST Action), 2016.
  15. Rui Fausto; M. E. S. Eusébio; T. M. R. Maria; Patrícia A. Silva; Nunes, C. M.. "Noteworthy High-Energy-Conformation Selection in Crystalline 1-Bromoferrocene and 1,1’-Dibromoferrocene". Paper presented in JEEP 2015, 41st Conference on Phase Equilibria, 2015.
  16. Sandra M. V. Pinto; Nunes, C. M. ; Igor Reva; Rui Fausto. "Capture of an Elusive Spiro-2H-Azirine and Ketenimine: Key Intermediates in the Photochemistry of 1,2-Benzisoxazole". Paper presented in 4th Portuguese Young Chemists Meeting, 2014.
  17. Gulce O. Ildiz; Nunes, C. M. ; Rui Fausto. "Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin". Paper presented in 1st International Turkish Congress on Molecular Spectroscopy, 2013.
  18. Gulce O. Ildiz; Nunes, C. M. ; Nihal Kus; Rui Fausto. "FTIR Investigation of the O-H...Xe Interaction in Simple Carboxylic Acids In Solid Xenon". Paper presented in 31st European Congress on Molecular Spectroscopy, 2012.
  19. Nunes, C. M. ; Igor Reva; Teresa M. V. D. Pinho e Melo; Rui Fausto. Corresponding author: Nunes, C. M.. "UV Laser Photochemistry of Isoxazole Isolated in Low-Temperature Matrix". Paper presented in 24th IUPAC Symposium on Photochemistry, 2012.
  20. Nunes, C. M. ; Igor Reva; Rui Fausto; Teresa M. V. D. Pinho e Melo. Corresponding author: Nunes, C. M.. "Pulsed Pyrolysis of Isoxazole. A Low-Temperature Matrix Isolation Infrared Spectroscopy Study". Paper presented in 30th European Congress on Molecular Spectroscopy, 2010.
  21. Susy Lopes; Igor Reva; Nunes, C. M. ; Teresa M. V. D. Pinho e Melo; Rui Fausto. "Photochemical Study of Methyl Aziridine-2-Carboxylate Isolated in Low-Temperature Inert Matrices: Combined Computational and Spectroscopic (FTIR) Study". Paper presented in 42nd IUPAC Congress: Chemistry Solution, 2009.
  22. Nunes, C. M. ; Igor Reva; Susy Lopes; Teresa M. V. D. Pinho e Melo; Rui Fausto. Corresponding author: Nunes, C. M.. "Photochemistry of 3,5-Dimethylisoxazole in Low-Temperature Inert Matrices: Combined Computational and Spectroscopic (FTIR) Study". Paper presented in 42nd IUPAC Congress: Chemistry Solution, 2009.
  23. Nunes, C. M. ; Rui Fausto; Teresa M. V. D. Pinho e Melo. "1,3-Dipolar Cycloaddition of Trifluoromethyl Azafulvenium Methides Generated Under Microwave Irradiation. A New Reactivity Model". Paper presented in 21st International Symposium: Synthesis in Organic Chemistry, 2009.
  24. Nunes, C. M. ; Teresa M. V. D. Pinho e Melo; Rui Fausto; Ana M. Beja; Manuela R. Silva. Corresponding author: Nunes, C. M.. "Synthesis of New Chiral 7-Trifluoromethyl-1H,3H-Pyrrolo[1,2-c]Thiazoles". Paper presented in 8th National Organic Chemistry Meeting, 2009.
  25. Nunes, C. M. ; Susy Lopes; Teresa M. V. D. Pinho e Melo; Rui Fausto. Corresponding author: Nunes, C. M.. "Matrix Isolation FTIR Spectroscopic and Theoretical Study of Dimethyl 2,2-Dioxo-1H,3H-Pyrazolo[1,5-c][1,3]Thiazole-6,7-Dicarboxylate". Paper presented in 29th European Congress on Molecular Spectroscopy, 2008.
  26. Lopes, Susy; Andreia Gómez-Zavaglia; Nunes, C. M. ; Teresa M. V. D. Pinho e Melo; Rui Fausto. "Photochemistry and Vibrational Spectra of Isolated Methyl (2Z)-2-Azido-3-Chloro-4-Oxo-4-Phenylbut-2-Enoate". Paper presented in 41st IUPAC World Chemistry Congress, 2007.
  27. Maria I. L. Soares; Susana M. M. Lopes; Nunes, C. M. ; Teresa M. V. D. Pinho e Melo. "The Rearrangement of C-Vinylpyrroles to C-Allylpyrroles". Paper presented in 7th National Organic Chemistry Meeting and 1st Luso-French Symposium, 2007.
  28. Lopes, Susy; Andreia Gómez-Zavaglia; Nunes, C. M. ; Teresa M. V. D. Pinho e Melo; Rui Fausto. "Matrix Isolation Low Temperature Solid State FTIR Spectroscopy Study of Methyl 4-Chloro-5-Phenylisoxazole-3-Carboxylate". Paper presented in 8th National Physical Chemistry Meeting, 2007.
  29. Nunes, C. M. ; Maria I. L. Soares; Teresa M.V.D. Pinho e Melo. "Thermolysis of 1-Methyl-Pyrrolo[1,2-c]Tiazoles-2,2-Dioxides: Synthesis and Reactivity of C-Vinylpyrroles". Paper presented in 4th Spanish, Portuguese, Japanese Symposium on Organic Chemistry, 2006.
  30. Paulo J. S. Gomes; Nunes, C. M. ; Teresa M. V. D. Pinho e Melo; Luis G. Arnaut. "1,3-Dipolar Cycloadditions of Aziridines. The Use of Electron Transfer as an Example of Photocatalysis". Paper presented in ACENET (ERA -NET) Integrated Course on Catalysis, 2006.
  31. Paulo J. S. Gomes; Nunes, C. M. ; Alberto C. C. Pais; Teresa M. V. D. Pinho e Melo; Arnaut, Luis G.. Corresponding author: Nunes, C. M.. "1,3-Dipolar Cycloadditions of Azomethine Ylides in Supercritical Carbon Dioxide". Paper presented in 4th Transmediterranean Colloquium on Heterocyclic Chemistry, 2006.
  32. Teresa M. V. D. Pinho e Melo; Clara S .B. Gomes; Patrícia O. Flórido; Nunes, C. M. ; António M. d’A. R. Gonsalves. "Synthesis and Reactivity of 4-Haloisoxazoles". Paper presented in 19th National Meeting of the Portuguese Chemical Society, 2004.
Journal article
  1. Nunes, C.M.; Lopes Jesus, A.J.; Rosado, M.T.S; Fausto, R.. Corresponding author: Nunes, C.M.. "On the Carbenic Nature of Nitrile Ylides: Experimental and Computational Characterization of Hydroxy and Amino Nitrile Ylides". European Journal of Organic Chemistry (2023): e202301103. https://doi.org/10.1002/ejoc.202301103.
    10.1002/ejoc.202301103
  2. Ferreira, G.A.; Nunes, C. M.; Lopes Jesus, A.J.; Fausto, R.. Corresponding author: Nunes, C. M.. "The meta and para OH Substitution Effect on C-Phenyl-Nitrilimine Bond-Shift Isomers". European Journal of Organic Chemistry (2023): e202300310. https://doi.org/10.1002/ejoc.202300310.
    10.1002/ejoc.202300310
  3. Roque, J.P.L; Nunes, C.M; Schreiner, P.R.; Fausto, R. Corresponding author: Nunes, C.M. "H-Tunneling Exhibiting Unexpectedly Small Primary Kinetic Isotope Effects". ChemRxiv (2023): https://chemrxiv.org/engage/chemrxiv/article-details/656f6721cf8b3c3cd7d9c438.
    Submitted • 10.26434/chemrxiv-2023-8h22d
  4. Nunes, C.M.; Roque, J.P.L.; Doddipatla, S.; Wood, S.A.; McMahon, R.J.; Fausto, R.. Corresponding author: Nunes, C.M.. "Simultaneous Tunneling Control in Conformer-Specific Reactions". Journal of the American Chemical Society 144 45 (2022): 20866-20874. https://doi.org/10.1021/jacs.2c09026.
    10.1021/jacs.2c09026
  5. Nunes, C.M.; Doddipatla, S.; Loureiro, G.F.; Roque, J.P.L.; Pereira, N.A.M.; Pinho e Melo, T.M.V.D.; Fausto, R.. Corresponding author: Nunes, C.M.. "Differential Tunneling-Driven and Vibrationally-Induced Reactivity in Isomeric Benzazirines". Chemistry - A European Journal (#VIP Paper) 28 67 (2022): e202202306. https://doi.org/10.1002/chem.202202306.
    10.1002/chem.202202306
  6. Lopes Jesus, A.J.; Nunes, C.M.; Reva, I.. "Conformational Structure, Infrared Spectra and Light-Induced Transformations of Thymol Isolated in Noble Gas Cryomatrices". Photochem 2 2 (2022): 405-422. http://dx.doi.org/10.3390/photochem2020028.
    10.3390/photochem2020028
  7. Nunes, C.M.; Pereira, N.A.M.; Fausto, R.. Corresponding author: Nunes, C.M.. "Photochromism of a Spiropyran in Low-Temperature Matrices: Unprecedented Bidirectional Switching between a Merocyanine and an Allene Intermediate". The Journal of Physical Chemistry A 126 14 (2022): 2222-2233. https://doi.org/10.1021/acs.jpca.2c01105.
    10.1021/acs.jpca.2c01105
  8. Fausto, R.; Ildiz, G.O.; Nunes, C.M.. "IR-induced and tunneling reactions in cryogenic matrices: the (incomplete) story of a successful endeavor". Chemical Society Reviews 51 7 (2022): 2853-2872. https://doi.org/10.1039/D1CS01026C.
    10.1039/D1CS01026C
  9. Doddipatla, S.; Ferreira, G.I.; Sidir, Y.G.; Nunes, C.M.; Fausto, R.. "Breaking and Formation of Intramolecular Hydrogen Bonds in Dihydroxybenzaldehydes through UV-Induced Conformational Changes in a Low-Temperature Matrix". Journal of Physical Chemistry A 126 46 (2022): 8645-8657. https://doi.org/10.1021/acs.jpca.2c05839.
  10. Viegas, L.P.; Nunes, C.M.; Fausto, R.. "Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl". Physical Chemistry Chemical Physics (#PCCP HOT Article) 23 (2021): 5797-5803. https://doi.org/10.1039/D1CP00076D.
    10.1039/D1CP00076D
  11. Nunes, C.M.; Pereira, N.A.M.; Viegas, L.P.; Pinho E Melo, T.M.V.D.; Fausto, R.. Corresponding author: Nunes, C.M.. "Inducing molecular reactions by selective vibrational excitation of a remote antenna with near-infrared light". Chemical Communications 57 75 (2021): 9570-9573. http://dx.doi.org/10.1039/d1cc03574f.
    10.1039/d1cc03574f
  12. Reva, I.; Jesus, A.J.L.; Nunes, C.M.; Roque, J.P.L.; Fausto, R.. "UV-Induced Photochemistry of 1,3-Benzoxazole, 2-Isocyanophenol, and 2-Cyanophenol Isolated in Low-Temperature Ar Matrixes". Journal of Organic Chemistry 86 9 (2021): 6126-6137. https://doi.org/10.1021/acs.joc.0c02970.
    10.1021/acs.joc.0c02970
  13. Roque, J.P.L.; Nunes, C.M.; Viegas, L.P.; Pereira, N.A.M.; Pinho E Melo, T.M.V.D.; Schreiner, P.R.; Fausto, R.. Corresponding author: Nunes, C.M.. "Switching on H-Tunneling through Conformational Control". Journal of the American Chemical Society (#JACS Spotlight) 143 22 (2021): 8266-8271. https://doi.org/10.1021/jacs.1c04329.
    10.1021/jacs.1c04329
  14. Pereira, N.A.M.; Nunes, C.M.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "Evidence of IR-Induced Chemistry in a Neat Solid: Tautomerization of Thiotropolone by Thermal, Electronic, and Vibrational Excitations". Journal of Physical Chemistry A 125 29 (2021): 6394-6403. https://doi.org/10.1021/acs.jpca.1c04081.
    10.1021/acs.jpca.1c04081
  15. Nunes, C.M.; Pereira, N.A.M.; Reva, I.; Amado, P.S.M.; Cristiano, M.L.S.; Fausto, R.. Corresponding author: Nunes, C.M.. "Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone". The Journal of Physical Chemistry Letters 11 19 (2020): 8034-8039. https://doi.org/10.1021/acs.jpclett.0c02272.
    10.1021/acs.jpclett.0c02272
  16. Nunes, C.M.; Viegas, L.P.; Wood, S.A.; Roque, J.P.L.; McMahon, R.J.; Fausto, R.. Corresponding author: Nunes, C.M.. "Heavy-Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2-Formylarylnitrene to a Singlet 2,1-Benzisoxazole". Angewandte Chemie International Edition (#VIP Paper) 59 40 (2020): 17622-17627. https://doi.org/10.1002/anie.202006640.
    10.1002/anie.202006640
  17. Lopes Jesus, A.J.; Reva, I.; Nunes, C.M.; Roque, J.P.L.; Pinto, S.M.V.; Fausto, R.. "Kinetically unstable 2-isocyanophenol isolated in cryogenic matrices: Vibrational excitation, conformational changes and spontaneous tunneling". Chemical Physics Letters 747 (2020): 137069. http://dx.doi.org/10.1016/j.cplett.2019.137069.
    10.1016/j.cplett.2019.137069
  18. Nunes, C.M.; Eckhardt, A.K. ; Reva, I.; Fausto, R.; Schreiner, P.R.. Corresponding author: Nunes, C.M.. "Competitive Nitrogen versus Carbon Tunneling". Journal of the American Chemical Society 141 36 (2019): 14340-14348. https://doi.org/10.1021/jacs.9b06869.
    10.1021/jacs.9b06869
  19. Lopes Jesus, A.J.; Nunes, C.M.; Reva, I.; Pinto, S.M.V.; Fausto R.. "Effects of Entangled IR Radiation and Tunneling on the Conformational Interconversion of 2-Cyanophenol". The Journal of Physical Chemistry A 123, 20 (2019): 4396-4405. https://doi.org/10.1021/acs.jpca.9b01382.
    10.1021/acs.jpca.9b01382
  20. Góbi, S.; Nunes, C.M.; Reva, I.; Tarczay, G.; Fausto, R.. "S–H rotamerization via tunneling in a thiol form of thioacetamide". Physical Chemistry Chemical Physics 21 31 (2019): 17063-17071. https://doi.org/10.1039/C9CP03417J.
    10.1039/C9CP03417J
  21. Góbi, S.; Reva, I.; Csonka, I.P.; Nunes, C.M.; Tarczay, G.; Fausto, R.. "Selective conformational control by excitation of NH imino vibrational antennas". Physical Chemistry Chemical Physics (#PCCP HOT Article) 21 45 (2019): 24935-24949. https://doi.org/10.1039/C9CP05370K.
    10.1039/c9cp05370k
  22. Nunes, C.M.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "Conformational isomerizations triggered by vibrational excitation of second stretching overtones". Physical Chemistry Chemical Physics (#PCCP HOT Article) 21 45 (2019): 24993-25001. https://doi.org/10.1039/C9CP05070A.
    10.1039/c9cp05070a
  23. Lopes Jesus, A.J.; Nunes, C.M.; Fausto, R.; Reva, I.. "Conformational control over an aldehyde fragment by selective vibrational excitation of interchangeable remote antennas". Chemical Communications 54 38 (2018): 4778-4781. https://doi.org/10.1039/C8CC01052H.
    10.1039/C8CC01052H
  24. Nunes, C.M.; Gudmundsdottir, A.D.; Fausto, R.. Corresponding author: Nunes, C.M.. "Preface “Structure, Spectroscopy and Chemistry of Reactive Intermediates”". Journal of Molecular Structure 1172 (2018): 1-2. https://doi.org/10.1016/j.molstruc.2018.06.027.
    10.1016/j.molstruc.2018.06.027
  25. Nunes, C.M.; Pinto, S.M.V.; Reva, I.; Rosado, M.T.S.; Fausto, R.. Corresponding author: Nunes, C.M.. "Photochemistry of matrix-isolated 3-chloro-1,2-benzisoxazole: Generation and characterization of 2-cyanophenoxyl radical and other reactive intermediates". Journal of Molecular Structure 1172 (2018): 34-41. https://doi.org/10.1016/j.molstruc.2017.11.009.
    10.1016/j.molstruc.2017.11.009
  26. Nunes, C.M.; Reva, I.; Kozuch, S.; McMahon, R.J.; Fausto, R.. Corresponding author: Nunes, C.M.. "Photochemistry of 2-Formylphenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine". Journal of the American Chemical Society 139 48 (2017): 17649-17659. https://doi.org/10.1021/jacs.7b10495.
    10.1021/jacs.7b10495
  27. Soares, M.I.L.; Nunes, C.M.; Gomes, C.S.B.; Pinho E Melo, T.M.V.D.; Fausto, R.. "Conformational behaviour, photochemistry and flash vacuum pyrolysis of a 2-(1H-tetrazol-1-yl)thiophene". New Journal of Chemistry 41 24 (2017): 15581-15589. https://doi.org/10.1039/C7NJ02775C.
    10.1039/c7nj02775c
  28. Nunes, C.M.; Pinto, S.M.V.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "On the Photochemistry of 1,2-Benzisoxazole: Capture of Elusive Spiro-2H-azirine and Ketenimine Intermediates". European Journal of Organic Chemistry 2016 24 (2016): 4152-4158. https://doi.org/10.1002/ejoc.201600668.
    10.1002/ejoc.201600668
  29. Nunes, C.M.; Pinto, S.M.V.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "Photochemistry of 3-amino-1,2-benzisoxazole: unexpected photoisomerization of an amino-spiro-2H-azirine to a 1H-diazirine". Tetrahedron Letters 57 46 (2016): 5038-5041. https://doi.org/10.1016/j.tetlet.2016.09.098S.
    10.1016/j.tetlet.2016.09.098
  30. Nunes, C.M.; Knezz, S.N.; Reva, I.; Fausto, R.; McMahon, R.J.. "Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-Formyl Phenylnitrene to an Imino Ketene in Low-Temperature Matrixes". Journal of the American Chemical Society 138 47 (2016): 15287-15290. https://doi.org/10.1021/jacs.6b07368.
    10.1021/jacs.6b07368
  31. Nunes, C.M.; Reva, I.; Fausto, R.; Bégué, D.; Wentrup, C.. "Bond-shift isomers: The co-existence of allenic and propargylic phenylnitrile imines". Chemical Communications 51 79 (2015): 14712-14715. https://doi.org/10.1039/C5CC03518J.
    10.1039/c5cc03518j
  32. Reva, I.; Nunes, C.M.; Biczysko, M.; Fausto, R.. "Conformational switching in pyruvic acid isolated in Ar and N2 matrixes: Spectroscopic analysis, anharmonic simulation, and tunneling". Journal of Physical Chemistry A 119 11 (2015): 2614-2627. https://doi.org/10.1021/jp509578c.
    10.1021/jp509578c
  33. Nunes, C.M.; Reva, I.; Rosado, M.T.S.; Fausto, R.. Corresponding author: Nunes, C.M.. "The Quest for Carbenic Nitrile Imines: Experimental and Computational Characterization of C-Amino Nitrile Imine". European Journal of Organic Chemistry 2015 34 (2015): 7484-7493. https://doi.org/10.1002/ejoc.201501153.
    10.1002/ejoc.201501153
  34. Silva, P.A.; Maria, T.M.R.; Nunes, C.M.; Eusébio, M.E.S.; Fausto, R.. "Intermolecularly-induced conformational disorder in ferrocene, 1-bromoferrocene and 1,1'-dibromoferrocene". Journal of Molecular Structure 1078 (2014): 90-105. https://doi.org/10.1016/j.molstruc.2013.12.031.
    10.1016/j.molstruc.2013.12.031
  35. Wentrup, C.; Nunes, C.M.; Reva, I.. "Comment on "computational Study on the Vinyl Azide Decomposition"". Journal of Physical Chemistry A 118 27 (2014): 5122-5123. https://doi.org/10.1021/jp503958z.
    10.1021/jp503958z
  36. Nunes, C.M.; Araujo-Andrade, C.; Fausto, R.; Reva, I.. Corresponding author: Nunes, C.M.. "Generation and characterization of a 4p-electron three-membered ring 1H-diazirine: An elusive intermediate in nitrile imine-carbodiimide isomerization". Journal of Organic Chemistry 79 8 (2014): 3641-3646. https://doi.org/10.1021/jo402744f.
    10.1021/jo402744f
  37. Krupa, J.; Wierzejewska, M.; Nunes, C.M.; Fausto, R.. "UV-tunable laser induced phototransformations of matrix isolated anethole". Journal of Chemical Physics 140 105102 (2014): https://doi.org/10.1063/1.4867896.
    10.1063/1.4867896
  38. Soares, M.I.L.; Nunes, C.M.; Gomes, C.S.B.; Pinho E Melo, T.M.V.D.. "Thiazolo[3,4-b]indazole-2,2-dioxides as masked extended dipoles: Pericyclic reactions of benzodiazafulvenium methides". Journal of Organic Chemistry 78 2 (2013): 628-637. https://doi.org/10.1021/jo302463q.
    10.1021/jo302463q
  39. Nunes, C.M.; Lapinski, L.; Fausto, R.; Reva, I.. "Near-IR laser generation of a high-energy conformer of L-alanine and the mechanism of its decay in a low-temperature nitrogen matrix". Journal of Chemical Physics 138 125101 (2013): https://doi.org/10.1063/1.4795823.
    10.1063/1.4795823
  40. Ildiz, G.O.; Nunes, C.M.; Fausto, R.. "Matrix isolation infrared spectra and photochemistry of hydantoin". Journal of Physical Chemistry A 117 4 (2013): 726-734. https://doi.org/10.1021/jp3107233.
    10.1021/jp3107233
  41. Nunes, C.M.; Reva, I.; Fausto, R.. Corresponding author: Nunes, C.M.. "Capture of an elusive nitrile ylide as an intermediate in isoxazole-oxazole photoisomerization". Journal of Organic Chemistry 78 21 (2013): 10657-10665. https://doi.org/10.1021/jo4015672.
    10.1021/jo4015672
  42. Nunes, C.M.; Reva, I.; Pinho E Melo, T.M.V.D.; Fausto, R.. Corresponding author: Nunes, C.M.. "UV-laser photochemistry of isoxazole isolated in a low-temperature matrix". Journal of Organic Chemistry 77 19 (2012): 8723-8732. https://doi.org/10.1021/jo301699z.
    10.1021/jo301699z
  43. Ildiz, G.O.; Nunes, C.M.; Kus, N.; Fausto, R.. "FTIR investigation of the O-H...Xe interaction in simple carboxylic acids in solid xenon". Journal of Chemical Physics 137 064309 (2012): https://doi.org/10.1063/1.4740243.
    10.1063/1.4740243
  44. Nunes, C.M.; Reva, I.; Pinho E Melo, T.M.V.D.; Fausto, R.; Šolomek, T.; Bally, T.. "The pyrolysis of isoxazole revisited: A new primary product and the pivotal role of the vinylnitrene. A low-temperature matrix isolation and computational study". Journal of the American Chemical Society 133 46 (2011): 18911-18923. https://doi.org/10.1021/ja207717k.
    10.1021/ja207717k
  45. Lopes, S.; Nunes, C.M.; Gómez-Zavaglia, A.; Pinho E Melo, T.M.V.D.; Fausto, R.. "Structure and photochemical behaviour of 3-azido-acrylophenones: A matrix isolation infrared spectroscopy study". Tetrahedron 67 40 (2011): 7794-7804. https://doi.org/10.1016/j.tet.2011.07.084.
    10.1016/j.tet.2011.07.084
  46. Lopes, S.; Nunes, C.M.; Gómez-Zavaglia, A.; Pinho E Melo, T.M.V.D.; Fausto, R.. "Photochemistry and vibrational spectra of matrix-isolated methyl 4-chloro-5-phenylisoxazole-3-carboxylate". Journal of Physical Chemistry A 115 7 (2011): 1199-1209. https://doi.org/10.1021/jp110705c.
    10.1021/jp110705c
  47. Nunes, C.M.; Ramos Silva, M.; Matos Beja, A.; Fausto, R.; Pinho e Melo, T.M.V.D.. "Cycloaddition of trifluoromethyl azafulvenium methides: synthesis of new trifluoromethylpyrrole-annulated derivatives". Tetrahedron Letters 51 2 (2010): 411-414. https://doi.org/10.1016/j.tetlet.2009.11.033.
    10.1016/j.tetlet.2009.11.033
  48. Lopes, S.; Nunes, C.M.; Gómez-Zavaglia, A.; Pinho E Melo, T.M.V.D.; Fausto, R.. "Conformational space and vibrational spectra of methyl 4-chloro-5-phenyl-1, 3-oxazole-2-carboxylate". Journal of Physical Chemistry A 114 34 (2010): 9074-9082. https://doi.org/10.1021/jp103665b.
    10.1021/jp103665b
  49. Lopes, S.M.M.; Nunes, C.M.; Pinho E Melo, T.M.V.D.. "4-Isoxazolines and pyrroles from allenoates". Tetrahedron 66 32 (2010): 6078-6084. https://doi.org/10.1016/j.tet.2010.06.010.
    10.1016/j.tet.2010.06.010
  50. Nunes, C.M.; Lopes, S.; Pinho e Melo, T.M.V.D.; Fausto, R.. "Spectroscopic and theoretical investigation of the conformational space of a pyrazolo-thiazole precursor of extended dipole diazafulvenium methide intermediates". Journal of Molecular Structure 921 1-3 (2009): 101-108. https://doi.org/10.1016/j.molstruc.2008.12.061.
    10.1016/j.molstruc.2008.12.061
  51. Fonseca, S.M.; Burrows, H.D.; Nunes, C.M.; Pinho e Melo, T.M.V.D.. "On the photophysical behaviour of 4-halo-5-phenyl-oxazoles and isoxazoles: A correction and observations on the photoinduced isomerisation and degradation of methyl 4-halo-5-phenyl-isoxazole-3-carboxylates". Chemical Physics Letters 474 1-3 (2009): 84-87. https://doi.org/10.1016/j.cplett.2009.04.028.
    10.1016/j.cplett.2009.04.028
  52. Lopes, S.; Nunes, C.M.; Fausto, R.; Pinho e Melo, T.M.V.D.. "4-Halo-1,3-oxazoles: Unambiguous structural assignment of 2-halo-2-benzoyl-2H-azirine-3-carboxylates thermal ring expansion products". Journal of Molecular Structure 919 1-3 (2009): 47-53. https://doi.org/10.1016/j.molstruc.2008.08.014.
    10.1016/j.molstruc.2008.08.014
  53. Pinho E Melo, T.M.V.D.; Nunes, C.M.; Soares, M.I.L.; Paixão, J.A.; Beja, A.M.; Silva, M.R.. "Chemistry of diazafulvenium methides in the synthesis of functionalized pyrazoles". Journal of Organic Chemistry 72 12 (2007): 4406-4415. https://doi.org/10.1021/jo070265x.
    10.1021/jo070265x
  54. Pinho e Melo, T.M.V.D.; Soares, M.I.L.; Nunes, C.M.. "'Higher-order' azomethine ylides in the synthesis of functionalized pyrroles and 5-oxo-5H-pyrrolizines". Tetrahedron 63 8 (2007): 1833-1841. https://doi.org/10.1016/j.tet.2006.12.025.
    10.1016/j.tet.2006.12.025
  55. Gomes, P.J.S.; Nunes, C.M.; Pais, A.A.C.C.; Pinho e Melo, T.M.V.D.; Arnaut, L.G.. "1,3-Dipolar cycloaddition of azomethine ylides generated from aziridines in supercritical carbon dioxide". Tetrahedron Letters 47 31 (2006): 5475-5479. https://doi.org/10.1016/j.tetlet.2006.05.179.
    10.1016/j.tetlet.2006.05.179
  56. Fonseca, S.M.; Burrows, H.D.; Nunes, C.M.; Pinho e Melo, T.M.V.D.; Gonsalves, A.M.D'A.. "On the photophysical behaviour of 4-halo-5-phenylisoxazoles". Chemical Physics Letters 414 1-3 (2005): 98-101. https://doi.org/10.1016/j.cplett.2005.08.056.
    10.1016/j.cplett.2005.08.056
Journal issue
  1. Reva, I.; Nunes, C.M.; Lopes Jesus, A.J.. "Special Issue: Photochemical Reactions at Low Temperature". Molecules (2020): https://www.mdpi.com/si/21648.
    Invited editor
  2. Nunes, C.M.; Gudmundsdottir, A.D.; Fausto, R.. "Special Issue: Structure, Spectroscopy and Chemistry of Reactive Intermediates". Journal of Molecular Structure 1172 (2018): https://www.sciencedirect.com/journal/journal-of-molecular-structure/vol/1172.
    Invited editor
Magazine article
  1. Alves, A.J.S. ; Macedo, J.; Alves, C.; Brito, A.L.B.; Justino, L.L.G.; Nunes, C.M.; Jesus, A.J.L.; et al. "Modification of Rosin Properties: Contribuition of Organic and Computational Chemistry", Resinae, 2023, https://rn21.forestwise.pt/wp-content/uploads/2023/12/Resinae-EN.pdf.
Thesis / Dissertation
  1. Cláudio M. Nunes. "Study of Thermal and Photochemistry of Isoxazoles by Matrix-Isolation and FTIR Spectroscopy". PhD, Department of Chemistry, University of Coimbra, 2012.
  2. Cláudio M. Nunes. "Pericyclic Reactions of Novel Dipolar Systems: Synthesis of Functionalized Heterocycles". Master, Department of Chemistry, University of Coimbra, 2006.
Translation
  1. Edited by Rocha-Filho, R.C.; Fausto, R.. Grandezas, Unidades e Símbolos em Físico-Química (Symbols in Physical Chemistry, IUPAC Green Book, 3rd Edition). Publicações SBQ. 2018.
Website
  1. Nunes, C.M.. Research group webpage. 2019. https://sites.google.com/view/cmnunes.

Other

Other output
  1. "Inside Back Cover". Chemical Communications 54 38 (2018): 4883-4883. 2018. Lopes Jesus, A.J.; Nunes, C.M.; Fausto, R.; Reva, I.. http://dx.doi.org/10.1039/c8cc90209g..
    10.1039/c8cc90209g
  2. "Back Cover". Chemical Communications 51 79 (2015): 14814-14814. 2015. Nunes, C.M.; Reva, I.; Fausto, R.; Bégué, D.; Wentrup, C.. https://doi.org/10.1039/C5CC90426A.
    10.1039/C5CC90426A
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/09/18 Quantum Tunneling Reactions: Discoveries on the Slippery PES of Arylnitrenes (Invited Plenary Lecture/Presenting Author) Solvation Chemistry and Reactive Molecules (WE-Heraeus-Seminar)
(Bad Honnef, Germany)
2023/09/06 Exploring Quantum Tunneling in Organic Reactions 17th Iberian Joint Meeting on Atomic and Molecular Physics
(Coimbra, Portugal)
2023/07/24 Manipulation of Organic Molecules by Infrared Vibrational Excitation (Invited Keynote Lecture/Presenting Author) 28th National Meeting of the Portuguese Chemical Society
(Aveiro, Portugal)
2022/09/12 IR-Induced and Tunneling-Driven Reactions in Cryomatrices (Invited Plenary Lecture/Presenting Author) 16th International Conference on Molecular Spectroscopy
(Szczawnica, Poland)
2022/07/08 Unprecedented Quantum Tunneling Reaction from the Chemistry of 2-Formylphenylnitrenes 5th Chemistry and Physics at Low Temperatures
(Visegrád, Hungary)
2022/07/06 Chemistry Triggered by Infrared Vibrational Excitation in Cryogenic Matrices (Invited Keynote Lecture/Presenting Author) 5th Chemistry and Physics at Low Temperatures
(Visegrád, Hungary)
2022/04/22 Manipulation of Organic Molecules by Vibrational Excitation with Near Infrared Light (Presenting Author) 14th National Organic Chemistry Meeting and 7th National Medicinal Chemistry Meeting
(Costa da Caparica, Portugal)
2021/12/15 Activation of H-Tunneling by Vibrational Excitation 3rd Chemistry Center Day
(Coimbra, Portugal)
2021/07/14 Photochemistry of Monomeric Benzoxazole and Isocyanophenol 27th National Meeting of the Portuguese Chemical Society
(Bragança, Portugal)
2021/05/20 H-Tunneling Activated upon Vibrational Excitation 7th Portuguese Young Chemists Meeting
(Bragança, Portugal)
2021/03/30 Molecular Manipulations under Cryogenic Conditions Controlled by Infrared Vibrational Excitation (Invited Keynote Lecture/Presenting Author) 14th National Physical Chemistry Meeting
(Coimbra, Portugal)
2019/06/18 Heavy-Atom Tunneling Reaction On The Slippery Potential Energy Surface of Arynitrenes (Invited Keynote Lecture/Presenting Author) XIXth International Workshop on Quantum Atomic and Molecular Tunneling Systems
(Borovets, Bulgaria)
2019/02/18 IR-Induced Chemistry: From Conformational Changes to Bond-Breaking Processes Physical Organic Chemistry: Recent Developments in Instrumentation, Structure, Theory, and Mechanisms
WE-Heraeus-Seminar (Bad Honnef, Germany)
2018/11/21 Selective Vibrational Excitation as a Tool for Conformational Control 24th Luso-Galego Chemistry Meeting
(Porto, Portugal)
2018/08/21 Spectroscopic Observation of Quantum Tunneling: Discoveries on the Potential Energy Surfaces of Phenylnitrenes (Invited Keynote Lecture/Presenting Author) 34th European Congress on Molecular Spectroscopy
(Coimbra, Portugal)
2018/07/04 Spontaneous and Photochemically Induced Reactions of Triplet 2-Formyl-Phenylnitrene in Low-Temperature Matrix 24th IUPAC Conference on Physical Organic Chemistry
(Faro, Portugal)
2018/01/17 Quantum Tunneling in Chemistry: 2-Formyl-Phenylnitrene - A Tale of Two "Impossible" Reactions (Invited Communication/Presenting Author) 12th National Organic Chemistry Meeting and 5th National Medicinal Chemistry Meeting
(Coimbra, Portugal)
2017/09/25 Reactivity of Triplet 2-Formyl Phenylnitrene Isolated in Noble Gas Cryogenic Matrices 2nd European Conference on Physical Chemistry
(Borgo, France)
2017/07/22 Tunneling in Triplet 2-Formyl Phenylnitrene International Symposium on Reactive Intermediates and Unusual Molecules
(Sorrento, Italy)
2017/07/16 Generation and Stabilization of Triplet 2-Formyl Phenylnitrene in Inert Cryogenic Matrices 25th National Meeting of the Portuguese Chemical Society
(Lisbon, Portugal)
2016/10/18 Bond-Shift Isomers: The Strange Case of the Co-Existence of Two Structures of a Nitrile Imine (Invited Communication/Presenting Author) 2nd Chemistry Center Day
(Coimbra, Portugal)
2016/09/24 Thermal and Photochemical Transformations of 1-Heteroaryl-1H-Tetrazoles 3rd Iberoamerican Symposium on Organic Chemistry
(Porto, Portugal)
2016/07/07 Photochemistry of Matrix-Isolated Isoxazoles 3rd Chemistry and Physics at Low Temperatures
(Biarritz, France)
2016/06/23 Photochemistry of Monomeric Isoxazoles 12th National Physical Chemistry Meeting
(Évora, Portugal)
2016/06/22 Discovering Bond-Shift Isomers in a Nitrile Imine (Presenting Author) 12th National Physical Chemistry Meeting
(Évora, Portugal)
2014/09/16 Reactivity Studies of Isoxazoles Using Matrix Isolation: A Potential New Gateway to Nitrenes (Invited Communication/Presenting Author) 1st Chemistry Center Day, Coimbra
(Coimbra, Portugal)
2014/08/26 Generation and Reactions of Nitrile Ylides and Nitrile Imines Induced by Tunable UV-Light (Presenting Author) 2nd Chemistry and Physics at Low Temperatures
(Suzdal, Russia)
2014/04/03 The Pyrolysis of Isoxazoles Revisited: The Pivotal Role of Vinylnitrenes International Symposium on Reactive Intermediates and Unusual Molecules
(Hiroshima, Japan)
2013/05/10 Generation and Decay of a New High-Energy Conformer of Alanine (Invited Communication/Presenting Author) 11th National Physical Chemistry Meeting
(Porto, Portugal)

Supervision

Thesis Title
Role
Degree Subject (Type)
Institution / Organization
2023 - Current Generation and Characterization of Carbenes from Triazole Liquid Ionic Salts: Key Studies for N-Heterocyclic Carbene Organocatalysis
Supervisor of Tatiana I. C. Caneca
Master Thesis (Master)
Department of Chemistry, University of Coimbra, Portugal
2021/09 - Current Exploring Chemistry Induced by Infrared Vibrational Excitation
Supervisor of Gonçalo F. Loureiro
Master Thesis (Master)
Department of Chemistry, University of Coimbra, Portugal
2020/12 - Current Quantum Mechanical Tunneling: Expanding Frontiers on Chemical Reactivity and Molecular Design
Co-supervisor of José P. L. Roque
PhD Thesis (PhD)
Department of Chemistry, University of Coimbra, Portugal
2022/09 - 2023/09 Synthesis, Conformational and Vibrational Characterization, and Photochemical Study of Azido-Naphtols Isolated in Cryogenic Matrices (in Portuguese)
Supervisor of Maria B. A. Carvalho
Master Thesis (Master)
Department of Chemistry, University of Coimbra, Portugal
2023/02 - 2023/07 Exploring Gateways to Generated and Characterized Simple Triazole Carbenes in Cryogenic Matrices: Key Studies for N-Heterocyclic Carbene Organocatalysis (in Portuguese)
Supervisor of Tatiana I. C. Caneca
Bsc Thesis (Degree)
Department of Chemistry, University of Coimbra, Portugal
2022/02 - 2022/07 Photoswiching of Spiropyrans with UV-Vis and Near-IR Light
Supervisor of Mariana S. F. Peixoto
MSc Researcher (Other)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2022/02 - 2022/07 Activate Bergman Cyclization with Near-IR Light
Supervisor of Bruna D. P. Costa
MSc Researcher (Other)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2020/09 - 2022/02 Study of Nitrilimines in Cryogenic Matrices: Generation, Characterization and Reactivity by Electronic and Vibrational Excitation (in Portuguese)
Supervisor of Gil A. Ferreira
Master Thesis (Master)
Department of Chemistry, University of Coimbra, Portugal
2019/05 - 2021/12 Chemistry Triggered by Infrared Vibrational Excitation: Developing a Powerful Tool for Highly-Selective Molecular Structure Manipulation
Supervisor of Nelson A. M. Pereira
PostDoc Junior Researcher (Other)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019/12 - 2020/09 Conformational Control of Proton Tunneling
Supervisor of José P. L. Roque
MSc Researcher (Other)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019/09 - 2019/11 Computational Design of Molecular Switches for Vibrational Excitation Control
Supervisor of Iori Miura
IAESTE Internship (Other)
Department of Chemistry, University of Coimbra, Portugal
2018 - 2019 Conformational Isomerization Induced by Vibrational Excitation of Second OH Stretching Overtone in Glycolamide (in Portuguese)
Supervisor of Gil Almeida Ferreira
Bsc Thesis (Degree)
Department of Chemistry, University of Coimbra, Portugal
2017/10 - 2017/12 Chemistry Triggered by Infrared Vibrational Excitation
Co-supervisor of Anna Dittmar
IAESTE Internship (Other)
Department of Chemistry, University of Coimbra, Portugal
2016/12 - 2017/08 Design of Kinetically Stable Nitrenes From Fused Benzisoxazoles and Tetrazoles
Supervisor of Sandra M. V. Pinto
MSc Researcher (Other)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2014 - 2016 Photochemistry of 1,2-Benzisoxazoles in Cryogenic Matrices. Characterization of Reactive Intermediates (in Portuguese)
Co-supervisor of Sandra M. V. Pinto
MSc Thesis (Master)
Department of Chemistry, University of Coimbra, Portugal
2014 - 2015 The Quest for Carbenic Nitrile Imines (in Portuguese)
Co-supervisor of Joel Pedrosa Ferreira
BSc Thesis (Degree)
Department of Chemistry, University of Coimbra, Portugal
2013 - 2014 Photochemistry of Isoxazoles as a Possible Gateway to Vinylnitrenes (in Portuguese)
Co-supervisor of Sandra M. V. Pinto
Bsc Thesis (Degree)
Department of Chemistry, University of Coimbra, Portugal
2012 - 2013 Matrix Isolation Studies on Ferrocenes (in Portuguese)
Co-supervisor of Patrícia A. Silva
MSc Internship (Master)
Department of Chemistry, University of Coimbra, Portugal

Event organisation

Event name
Type of event (Role)
Institution / Organization
2022/11/04 - 2022/11/17 What research is carried out at UC? | LIP and CCQ (2022/11/04 - 2022/11/17)
Exhibition (Co-organisor)
Department of Chemistry, University of Coimbra, Portugal
2021/12/15 - 2021/12/15 3rd Chemistry Center Day (Chair) (2021/12/15 - 2021/12/15)
Meeting (Member of the Organising Committee)
Coimbra Chemistry Centre, University of Coimbra, Portugal
2013 - 2019 High School Students Visit the Lab Initiatives (2013 - 2019)
Other (Co-organisor)
Department of Chemistry, University of Coimbra, Portugal
2018/08/19 - 2018/08/24 34th European Congress on Molecular Spectroscopy (2018/08/19 - 2018/08/24)
Congress (Member of the Organising Committee)
Department of Chemistry, University of Coimbra, Portugal
2017/07/03 - 2017/07/07 Training School on Laser Applications for Biology and Biomolecular Systems (2017/07/03 - 2017/07/07)
Workshop (Co-organisor)
Coimbra Laser Lab, Department of Chemistry, University of Coimbra, Portugal
2017 - 2017 Summer School Activities at University of Coimbra (2017 - 2017)
Other (Co-organisor)
Department of Chemistry, University of Coimbra, Portugal
2017 - 2017 1st FCTUC Science Show/Exposition (2017 - 2017)
Exhibition (Co-organisor)
Alma Shopping, Coimbra, Portugal
2007/06/21 - 2007/06/22 8th National Physical Chemistry Meeting (2007/06/21 - 2007/06/22)
Conference (Member of the Organising Committee)
Department of Chemistry, University of Coimbra, Portugal
2006 - 2006 2nd Workshop, Chemistry an Interactive Science (2006 - 2006)
Workshop (Co-organisor)
Department of Chemistry, University of Coimbra, Portugal
2005 - 2005 1st Workshop, Chemistry an Interactive Science (2005 - 2005)
Workshop (Co-organisor)
Department of Chemistry, University of Coimbra, Portugal

Jury of academic degree

Topic
Role
Candidate name (Type of degree)
Institution / Organization
2023/09 Synthesis, Conformational and Vibrational Characterization, and Photochemical Study of Azido-Naphtols Isolated in Cryogenic Matrices (in Portuguese)
Supervisor
Maria B. A. Carvalho (Master)
Department of Chemistry, University of Coimbra, Portugal
2023/07 Exploring Gateways to Generated and Characterized Simple Triazole Carbenes in Cryogenic Matrices: Key Studies for N Heterocyclic Carbene Organocatalysis (in Portuguese)
Supervisor
Tatiana I. C. Caneca (Other)
Department of Chemistry, University of Coimbra, Portugal
2023/07 The Importance of Chemical Kinetics and Spectroscopy in Photochromic Dyes (in Portuguese)
(Thesis) Main arguer
Edna Martins (Other)
Department of Chemistry, University of Coimbra, Portugal
2023/07 Synthesis of Novel Indoles and Bis(indolyl)methanes: Approaches to Structures with Biological Activity
(Thesis) Arguer
Carla S. P. Grosso (PhD)
Department of Chemistry, University of Coimbra, Portugal
2022/02/28 Study of Nitrilimines in Cryogenic Matrices: Generation, Characterization and Reactivity by Electronic and Vibrational Excitation (in Portuguese)
Supervisor
Gil A. Ferreira (Master)
Department of Chemistry, University of Coimbra, Portugal
2020/07 Identification of Spectral Biomarkers in Breast Cancer Cell Lines by FTIR Microspectroscopy (in Portuguese)
(Thesis) Arguer
Cindy Lourenço (Other)
Department of Chemistry, University of Coimbra, Portugal
2019/07 Conformational Isomerization Induced by Vibrational Excitation of Second OH Stretching Overtone in Glycolamide (in Portuguese)
Supervisor
Gil A. Ferreira (Other)
Department of Chemistry, University of Coimbra, Portugal
2017/07 Structure and Reactivity of Pyrrole Carboxylic Acids Isolated in Cryogenic Matrices (in Portuguese)
(Thesis) Arguer
José P. L. Roque (Other)
Department of Chemistry, University of Coimbra, Portugal
2016/09/22 Photochemistry of 1,2-Benzisoxazoles in Cryogenic Matrices. Characterization of Reactive Intermediates (in Portuguese)
Supervisor
Sandra M. V. Pinto (Master)
Department of Chemistry, University of Coimbra, Portugal
2015/07 Raman Spectroscopic Study of Cyclodextrins (in Portuguese)
(Thesis) Arguer
Sara Rodrigues Costa (Other)
Department of Chemistry, University of Coimbra, Portugal

Ad Hoc journal article review

Journal title (ISSN) Publisher
2023/10 - Current Journal of the American Chemical Society American Chemical Society
2023/08 - Current ChemCatChem Wiley-VCH
2022/11 - Current Nature Communications Springer Nature
2022/10 - Current Chemical Science Royal Society of Chemistry
2021/08 - Current Journal of Physical Organic Chemistry Wiley-VCH
2021/03 - Current The Journal of Chemical Physics American Institute of Physics
2020/03 - Current The Journal of Physical Chemistry American Chemical Society
2019/12 - Current Angewandte Chemie Wiley-VCH
2019/09 - Current European Journal of Organic Chemistry Wiley-VCH
2019/08 - Current Australian Journal of Chemistry CSIRO Publishing
2016/10 - Current Organic Letters American Chemical Society
2015/12 - Current New Journal of Chemistry Royal Society of Chemistry
2015/07 - Current Physical Chemistry Chemical Physics Royal Society of Chemistry
2014/04 - Current The Journal of Organic Chemistry American Chemical Society
2013/07 - Current Tetrahedron Letters Elsevier
2013/06 - Current Journal of Molecular Structure Elsevier

Association member

Society Organization name Role
2013 - Current Portuguese Chemical Society Member
2013 - Current Coimbra Chemistry Centre (CQC), University of Coimbra, Portugal Integrated Member

Committee member

Activity description
Role
Institution / Organization
2024/01 - Current Executive Board of the Coimbra Chemistry Centre
Member
Coimbra Chemistry Centre, University of Coimbra, Portugal
2019 - Current Executive Board of the Coimbra Laser Lab
Member
Coimbra Laser Lab, Department of Chemistry, University of Coimbra, Portugal
2021/11 - 2023/12 Executive Board of the Coimbra Chemistry Centre
Member
Coimbra Chemistry Centre , University of Coimbra, Portugal
2019/10 - 2021/10 Executive Board of Coimbra Chemistry Centre
Member
Coimbra Chemistry Centre , University of Coimbra, Portugal
2013 - 2015 Representation Committe in the Postdoc Platform, PostDoc@UC
Member
Universidade de Coimbra, Portugal

Conference scientific committee

Conference name Conference host
2022/11/15 - 2022/11/17 VIII Edition of the NEQ/AAC Scientific Meeting Department of Chemistry, University of Coimbra
2021/12/15 - 2021/12/15 3rd Chemistry Center Day Coimbra Chemistry Centre, University of Coimbra

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2024/02 - Current Técnicas de Purificação e Análise Estrutural de Fármacos (Technical Purification and Structural Analysis of Drugs) MSc in Industrial Pharmaceutical Chemistry (Mestrado) Faculty of Pharmacy, Universidade de Coimbra, Portugal
2023/09 - Current Química Geral I (General Chemistry I - Laboratory classes) BSc in Geology (Licenciatura) Department of Chemistry, University of Coimbra, Portugal
2023/09 - Current Química Geral (General Chemistry - Laboratory classes) BSc in Engineering Physics / BSc in Biomedical Engineering (Licenciatura) Department of Chemistry, University of Coimbra, Portugal
2023/09 - Current Química Geral (General Chemistry) BSc in Biochemistry (Licenciatura) Department of Chemistry, University of Coimbra, Portugal
2021/09 - Current Identificação e Análise de Compostos Orgânicos (Identification and Analysis of Organic Compounds) MSc in Chemistry / MSc in Forensic Chemistry (Mestrado) Department of Chemistry, University of Coimbra, Portugal
2020/02 - 2020/07 Química Geral II (General Chemistry II) BSc in Chemistry / BSc in Physics (Licenciatura) Department of Chemistry, University of Coimbra, Portugal
2019/09 - 2020/02 Identificação e Análise de Compostos Orgânicos (Identification and Analysis of Organic Compounds) MSc in Chemistry / MSc in Forensic Chemistry (Mestrado) Department of Chemistry, University of Coimbra, Portugal
2019/09 - 2020/02 Química Geral (General Chemistry) BSc in Biology (Licenciatura) Department of Chemistry, University of Coimbra, Portugal
2017/07/04 - 2017/07/04 IR Spectroscopy and Photochemistry in Cryogenic Media Training School on Laser Applications for Biology and Biomolecular Systems Coimbra Laser Lab, Department of Chemistry, University of Coimbra, Portugal
2005/01 - 2005/07 Química Analítica (Analytical Chemistry) BSc in Pharmaceutical Sciences (Licenciatura) Department of Chemistry, University of Coimbra, Portugal

Interview (newspaper / magazine)

Activity description Newspaper / Forum
2022/11/24 Unprecedented Simultaneous Quantum Tunnelling Reaction Discovered Chemistry Word

Mentoring / Tutoring

Topic Student name
2021/02 - 2021/07 Switching of a Methoxy Rotor by Vibrational Excitation of a NH2 Antenna (in Portuguese) Gonçalo F. Loureiro
2020/02 - 2020/07 Photochemistry of 4-Azido-3,5-Difluoroaniline: Theoretical Prediction of Controlled Reactivity by Selective Vibrational Excitation in Cryogenic Matrices (in Portuguese) Gil A. Ferreira

Other jury / evaluation

Activity description Institution / Organization
2016 - Current Member of the jury in 11 different calls to research fellowships to BSc, MSc and PhD researchers and to PostDocs and Junior researchers. Coimbra Chemistry Centre, University of Coimbra, Portugal
2023/09/26 - 2023/09/26 Member of the Jury in recognition of 1 MSc Degree (Aklima KaKon, MSc in Chemistry, National University of Gazipur, Bangaldesh) Department of Chemistry, University of Coimbra, Portugal
2022/05/24 - 2022/05/24 Member of the Jury in recognition of 1 BSc Degree (Maria Fernanda de Aguiar Izidoro, BSc in Chemistry, Universidade Federal de São Carlos, Brasil) Department of Chemistry, University of Coimbra, Portugal
2021/06/22 - 2021/06/22 Member of the Jury in 1 PhD project thesis - Quantum Mechanical Tunneling: Expanding Frontiers on Chemical Reactivity and Molecular Design - José P. L. Roque Department of Chemistry, University of Coimbra, Portugal
Distinctions

Award

2019 Auxiliary Researcher Position
Fundação para a Ciência e a Tecnologia, Portugal
2019 Junior Researcher Position
Department of Chemistry, University of Coimbra, Portugal
2013 Postdoctoral Fellowship
Fundação para a Ciência e a Tecnologia, Portugal
2013 Postdoctoral Fellowship
Université de Fribourg, Switzerland
2007 Doctoral Fellowship
Fundação para a Ciência e a Tecnologia, Portugal
2004 Caixa Geral de Depósitos Award - Best final mark, BSc Degree
Caixa Geral de Depositos, Portugal
2003 BPI Fernando Alves Award - Best mark of the year, BSc Degree
BPI, Portugal

Other distinction

2014 Outstanding Presentation Award at the Young Investigators Section
2nd Chemistry and Physics at Low Temperatures, Russia