Publications

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)

3.  'Higher-Order' Azomethine Ylides in the Synthesis of Functionalized Pyrroles and 5-Oxo-5H-Pyrrolizines

Teresa M. V. D. Pinho e Melo, Maria, I. L. Soares, and Cláudio M. Nunes

Tetrahedron 2007, 63, 1833–1841  (go) (pdf)

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)

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)