Publications
Publications in Peer-Reviewed Journals
53. Simultaneous Tunneling Control in Conformer-Specific Reactions
Cláudio M. Nunes,* José P. L. Roque, Srinivas Doddipatla, Samuel A. Wood, Robert J. McMahon, and Rui Fausto
J. Am. Chem. Soc. 2022, 144, 20866–20874 (go) #Chemistry World covered story
52. Breaking and Formation of Intramolecular Hydrogen Bonds in Dihydroxybenzaldehydes through UV-Induced Conformational Changes in a Low-Temperature Matrix
Srinivas Doddipatla, Gregory I. Ferreira, Yadigar Gülseven Sıdır, Cláudio M. Nunes, and Rui Fausto
J. Phys. Chem. A 2022, DOI: 10.1021/acs.jpca.2c05839
51. Differential Tunneling-Driven and Vibrationally-Induced Reactivity in Isomeric Benzazirines
Cláudio M. Nunes,* Srinivas Doddipatla, Gonçalo F. Loureiro, José P. L. Roque, Nelson M. A. Pereira, Teresa M. V. D. Pinho e Melo, and Rui Fausto
Chem. Eur. J. 2022, e202202306 (go) #VIP Paper
50. Conformational Structure, Infrared Spectra and Light-Induced Transformations of Thymol Isolated in Noble Gas Cryomatrices
A. J. Lopes Jesus, Cláudio M. Nunes, and Igor Reva
Photochem. 2022, 2, 405–422 (go)
49. Photochromism of a Spiropyran in Low-Temperature Matrices: Unprecedented Bidirectional Switching between a Merocyanine and an Allene Intermediate
Cláudio M. Nunes,* Nelson A. M. Pereira, and Rui Fausto
J. Phys. Chem. A 2022, 126, 2222–2233 (go)
48. IR-Induced and Tunneling Reactions in Cryogenic Matrices: The (Incomplete) Story of a Successful Endeavor
Rui Fausto, Gulce O. Ildiz, and Cláudio M. Nunes
Chem. Soc. Rev. 2022, 51, 2853–2872 (go)
47. Inducing Molecular Reactions by Selective Vibrational Excitation of a Remote Antenna with Near-Infrared Light
Cláudio M. Nunes,* Nelson A. M. Pereira, Luís P. Viegas, Teresa M. V. D. Pinho e Melo, and Rui Fausto
Chem. Comm. 2021, 57, 9570–9573 (go)
46. Evidence of IR-Induced Chemistry in a Neat Solid: Tautomerization of Thiotropolone by Thermal, Electronic, and Vibrational Excitations
Nelson A. M. Pereira, Cláudio M. Nunes,* Igor Reva, and Rui Fausto
J. Phys. Chem. A 2021, 125, 6394–6403 (go)
45. Switching on H‑Tunneling through Conformational Control
José P. L. Roque, Cláudio M. Nunes,* Luís P. Viegas, Nelson A. M. Pereira, Teresa M. V. D. Pinho e Melo, Peter R. Schreiner, and Rui Fausto
J. Am. Chem. Soc. 2021, 143, 8266–8271 (go) #JACS Spotlight
44. UV-Induced Photochemistry of 1,3-Benzoxazole, 2‑Isocyanophenol, and 2‑Cyanophenol Isolated in Low-Temperature Ar Matrixes
Igor Reva, A. J. Lopes Jesus, Cláudio M. Nunes, José P. L. Roque, and Rui Fausto
J. Org. Chem. 2021, 86, 6126–6137 (go)
43. Spin-Forbidden Heavy-atom Tunneling in the Ring-Closure of Triplet Cyclopentane-1,3-Diyl
Luís P. Viegas, Cláudio M. Nunes, and Rui Fausto
Phys. Chem. Chem. Phys. 2021, 23, 5797–5803 (go) #PCCP HOT Article
42. Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone
Cláudio M. Nunes,* Nelson A. M. Pereira, Igor Reva, Patrícia S. M. Amado, Maria L. S. Cristiano, and Rui Fausto
J. Phys. Chem. Lett. 2020, 11, 8034–8039 (go)
41. Heavy‐Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2‐Formylarylnitrene to a Singlet 2,1-Benzisoxazole
Cláudio M. Nunes,* Luís P. Viegas, Samuel A. Wood, José P. L. Roque, Robert J. McMahon, and Rui Fausto
Angew. Chem. Int. Ed. 2020, 59, 17622–17627 (go) #VIP Paper
40. Kinetically Unstable 2-Isocyanophenol Isolated in Cryogenic Matrices: Vibrational Excitation, Conformational Changes and Spontaneous Tunneling
A. J. Lopes Jesus, Igor Reva, Cláudio M. Nunes, José P. L. Roque , Sandra M. V. Pinto, and Rui Fausto
Chem. Phys. Lett. 2020, 747, 137069 (go)
39. Conformational Isomerizations Triggered by Vibrational Excitation of Second Stretching Overtones
Cláudio M. Nunes,* Igor Reva, and Rui Fausto
Phys. Chem. Chem. Phys. 2019, 21, 24993–25001 (go) #PCCP HOT Article
38. Selective Conformational Control by Excitation of NH Imino Vibrational Antennas
Sándor Góbi, Igor Reva, István Csonka, Cláudio M. Nunes, György Tarczay, and Rui Fausto
Phys. Chem. Chem. Phys. 2019, 21, 24935–24949 (go) #PCCP HOT Article
37. Competitive Nitrogen versus Carbon Tunneling
Cláudio M. Nunes,* André K. Eckhardt, Igor Reva, Rui Fausto, and Peter Schreiner
J. Am. Chem. Soc. 2019, 141, 14340–14348 (go)
36. S–H Rotamerization via Tunneling in a Thiol Form of Thioacetamide
Sándor Góbi, Cláudio M. Nunes, Igor Reva, György Tarczay, and Rui Fausto
Phys. Chem. Chem. Phys. 2019, 21, 17063–17071 (go)
35. The Effects of Entangled IR-Radiation and Tunneling on the Conformational Interconversion of 2-Cyanophenol
A. J. Lopes Jesus, Cláudio M. Nunes, Igor Reva, Sandra M. V. Pinto, and Rui Fausto
J. Phys. Chem. A 2019, 123, 4396–4405 (go)
34. Conformational Control Over an Aldehyde Fragment by Selective Vibrational Excitation of Interchangeable Remote Antennas
A. J. Lopes Jesus, Cláudio M. Nunes, Igor Reva, and Rui Fausto
Chem. Commun. 2018, 54, 4778–4781 (go) #Back Cover
33. Preface. Special Issue: Structure, Spectroscopy and Chemistry of Reactive Intermediate
Cláudio M. Nunes,* Anna D. Gudmundsdottir, and Rui Fausto
J. Mol. Struct. 2018, 1172, 1–2 (go)
32. Photochemistry of Matrix-Isolated 3-Chloro-1,2-Benzisoxazole: Generation and Characterization of 2-Cyanophenoxyl Radical and Other Reactive Intermediates
Cláudio M. Nunes,* Sandra M. V. Pinto, Igor Reva, Mário T. S. Rosado, and Rui Fausto
J. Mol. Struct. 2018, 1172, 33–41 (go)
31. Photochemistry of 2-Formylphenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine
Cláudio M. Nunes,* Igor Reva, Sebastian Kozuch, Robert J. McMahon, and Rui Fausto
J. Am. Chem. Soc. 2017, 139, 17649–17659 (go)
30. Conformational Behaviour, Photochemistry and Flash Vacuum Pyrolysis of a 2-(1H-Tetrazol-1-yl)Thiophene
Maria I. L. Soares, Cláudio M. Nunes, Clara S. B. Gomes, Teresa M. V. D. Pinho e Melo, and Rui Fausto
New J. Chem. 2017, 41, 15581–15589 (go)
29. Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-Formyl Phenylnitrene to an Imino Ketene in Low-Temperature Matrices
Cláudio M. Nunes, Stephanie N. Knezz, Igor Reva, Rui Fausto, and Robert J. McMahon
J. Am. Chem. Soc. 2016, 138, 15287–15290 (go)
28. Photochemistry of 3-Amino-1,2-Benzisoxazole: Unexpected Photoisomerization of an Amino-Spiro-2H-Azirine to a 1H-Diazirine
Cláudio M. Nunes,* Sandra M. V. Pinto, Igor Reva, and Rui Fausto
Tetrahedron Lett. 2016, 57, 5038–5041 (go)
27. On the Photochemistry of 1,2‑Benzisoxazole: Capture of Elusive Spiro-2H-Azirine and Ketenimine Intermediates
Cláudio M. Nunes,* Sandra M. V. Pinto, Igor Reva, and Rui Fausto
Eur. J. Org. Chem. 2016, 4152–4158 (go)
26. The Quest for Carbenic Nitrile Imines: Experimental and Computational Characterization of C-Amino Nitrile Imine
Cláudio M. Nunes,* Igor Reva, Mário T. S. Rosado, and Rui Fausto
Eur. J. Org. Chem. 2015, 7484–7493 (go)
25. Bond-Shift Isomers: The Co-existence of Allenic and Propargylic Phenylnitrile Imines
Cláudio M. Nunes, Igor Reva, Rui Fausto, Didier Bégué, and Curt Wentrup
Chem. Commun. 2015, 51, 14712–14715 (go) #Back Cover
24. Conformational Switching in Pyruvic Acid Isolated in Ar and N2 Matrices: Spectroscopic Analysis, Anharmonic Simulation, and Tunneling
Igor Reva, Cláudio M. Nunes, Malgorzata Biczysko, and Rui Fausto
J. Phys. Chem. A 2015, 119, 2614–12627 (go)
23. Intermolecularly-Induced Conformational Disorder in Ferrocene, 1-Bromoferrocene and 1,1′‑Dibromoferrocene
Patrícia A. Silva, Teresa M. R. Maria, Cláudio M. Nunes, Maria Ermelinda S. Eusébio, and Rui Fausto
J. Mol. Struct. 2014, 1078, 90–105 (go)
22. Comment on "Computational Study on the Vinyl Azide Decomposition"
Curt Wentrup, Cláudio M. Nunes, and Igor Reva
J. Phys. Chem. A 2014, 118, 5122–5123 (go)
21. Generation and Characterization of a 4p-Electron Three-Membered Ring 1H‑Diazirine: An Elusive Intermediate in Nitrile Imine−Carbodiimide Isomerization
Cláudio M. Nunes,* Cuauhtémoc Araujo-Andrade, Rui Fausto, and Igor Reva
J. Org. Chem. 2014, 79, 3641–3646 (go)
20. UV-Tunable Laser Induced Phototransformations of Matrix Isolated Anethole
Justyna Krupa, Maria Wierzejewska, Cláudio M. Nunes, and Rui Fausto
J. Chem. Phys. 2014, 140, 105102 (go)
19. Capture of an Elusive Nitrile Ylide as an Intermediate in Isoxazole−Oxazole Photoisomerization
Cláudio M. Nunes,* Igor Reva, and Rui Fausto
J. Org. Chem. 2013, 78, 10657–10665 (go)
18. Near-IR Laser Generation of a High-Energy Conformer of L-Alanine and the Mechanism of its Decay in a Low-Temperature Nitrogen Matrix
Cláudio M. Nunes, Leszek Lapinski, Rui Fausto, and Igor Reva
J. Chem. Phys. 2013, 138, 125101 (go)
17. Thiazolo[3,4‑b]Indazole-2,2-Dioxides as Masked Extended Dipoles: Pericyclic Reactions of Benzodiazafulvenium Methides
Maria I. L. Soares, Cláudio M. Nunes, Clara S. B. Gomes, and Teresa M. V. D. Pinho e Melo
J. Org. Chem. 2013, 78, 628–637 (go)
16. Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin
Gulce O. Ildiz, Cláudio M. Nunes, and Rui Fausto
J. Phys. Chem. A 2013, 117, 726–734 (go)
15. UV-Laser Photochemistry of Isoxazole Isolated in a Low-Temperature Matrix
Cláudio M. Nunes,* Igor Reva, Teresa M. V. D. Pinho e Melo, and Rui Fausto
J. Org. Chem. 2012, 77, 8723–8732 (go)
14. FTIR Investigation of the O‑H· · ·Xe Interaction in Simple Carboxylic Acids in Solid Xenon
Gulce O. Ildiz, Cláudio M. Nunes, Nihal Kuş, and Rui Fausto
J. Chem. Phys. 2012, 137, 064309 (go)
13. The Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix Isolation and Computational Study
Cláudio M. Nunes, Igor Reva, Teresa M. V. D. Pinho e Melo, Rui Fausto, Tomáš Šomoleck, and Thomas Bally
J. Am. Chem. Soc. 2011, 113, 18911–18923 (go)
12. Structure and Photochemical Behaviour of 3-Azido-Acrylophenones: A Matrix Isolation Infrared Spectroscopy Study
Susy Lopes, Cláudio M. Nunes, Andrea Gómez-Zavaglia, Teresa M. V. D. Pinho e Melo, and Rui Fausto
Tetrahedron 2011, 67, 7794–7804 (go)
11. Photochemistry and Vibrational Spectra of Matrix-Isolated Methyl 4-Chloro-5-Phenylisoxazole-3‑Carboxylate
Susy Lopes, Cláudio M. Nunes, Andrea Gómez-Zavaglia, Teresa M. V. D. Pinho e Melo, and Rui Fausto
J. Phys. Chem. A 2011, 115, 1199–1209 (go)
10. Conformational Space and Vibrational Spectra of Methyl 4-Chloro-5-Phenyl-1,3-Oxazole-2-Carboxylate
Susy Lopes, Cláudio M. Nunes, Andrea Gómez-Zavaglia, Teresa M. V. D. Pinho e Melo, and Rui Fausto
J. Phys. Chem. A 2010, 114, 9074–9082 (go)
9. 4-Isoxazolines and Pyrroles From Allenoates
Susana M. M. Lopes, Cláudio M. Nunes, and Teresa M. V. D. Pinho e Melo
Tetrahedron 2010, 66, 6078–6084 (go)
8. Cycloaddition of Trifluoromethyl Azafulvenium Methides: Synthesis of New Trifluoromethylpyrrole-Annulated Derivatives
Cláudio M. Nunes, Manuela R. Silva, Ana M. Beja, Rui Fausto, and Teresa M. V. D. Pinho e Melo
Tetrahedron Lett. 2010, 51, 411–414 (go)
7. 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
Sofia M. Fonseca, Hugh D. Burrows, Cláudio M. Nunes, and Teresa M. V. D. Pinho e Melo
Chem. Phys. Lett. 2009, 474, 84–87 (go)
6. Spectroscopic and Theoretical Investigation of the Conformational Space of a Pyrazolo-Thiazole Precursor of Extended Dipole Diazafulvenium Methide Intermediates
Cláudio M. Nunes, Susy Lopes, Teresa M. V. D. Pinho e Melo, and Rui Fausto
J. Mol. Struct. 2009, 921, 101–108 (go)
5. 4-Halo-1,3-Oxazoles: Unambiguous Structural Assignment of 2-Halo-2-Benzoyl-2H-Azirine-3-Carboxylates Thermal Ring Expansion Products
Susy Lopes, Cláudio M. Nunes, Rui Fausto, and Teresa M. V. D. Pinho e Melo
J. Mol. Struct. 2009, 919, 47–53 (go)
4. Chemistry of Diazafulvenium Methides in the Synthesis of Functionalized Pyrazoles
Teresa M. V. D. Pinho e Melo, Cláudio M. Nunes, Maria I. L. Soares, José A. Paixão, Ana Matos Beja, and Manuela Ramos Silva
J. Org. Chem. 2007, 72, 4406–4415 (go)
2. 1,3-Dipolar Cycloaddition of Azomethine Ylides Generated from Aziridines in Supercritical Carbon Dioxide
Paulo J. S. Gomes, Cláudio M. Nunes, Alberto C. C. Pais, Teresa M. V .D. Pinho e Melo, and Luis G. Arnaut
Tetrahedron Lett. 2006, 47, 5475–5479 (go)
1. On the Photophysical Behaviour of 4-Halo-5-Phenylisoxazoles
Sofia M. Fonseca, Hugh D. Burrows, Cláudio M. Nunes, Teresa M. V. D. Pinho e Melo, and António M. d’A. R. Gonsalves
Chem. Phys. Lett. 2005, 414, 98–101 (go)
Contributions in Books
3. Matrix Isolation in Heterocyclic Chemistry
José P. L. Roque, Cláudio M. Nunes, and Rui Fausto
“Matrix Isolation in Heterocyclic Chemistry” In Heterocycles - Synthesis, Catalysis, Sustainability and Characterization
Pinho e Melo, T. M. V. D. and Pinheiro, M. Eds.; Wiley-VCH, Weinheim, 2022, pp 401-452. (link) (repository)
2. Direct Observation of Tunneling Reactions by Matrix Isolation Spectroscopy
Cláudio M. Nunes,* Igor Reva, and Rui Fausto
“Direct Observation of Tunneling Reactions by Matrix Isolation Spectroscopy” In Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry
Kästner, J. and Kozuch, S. Eds.; Royal Society of Chemistry, Cambridge, 2021, pp 1-60. (link) (repository)
1. Grandezas, Unidades e Símbolos em Físico-Química (Livro Verde IUPAC)
Tradução para o Português. Quantities, Units and Symbols in Physical Chemistry (IUPAC Green book): Portuguese Translation.
Coordinated by Romeu C. Rocha-Filho and Rui Fausto, Publicações SBQ, 2018. (link)