Assessing cluster models of solvation for the description of vibrational circular dichroism spectra: synergy between static and dynamic approaches

Katia Le Barbu-Debus, Jessica Bowles, Sascha Jähnigen, Carine Clavaguéra, Florent Calvo, Rodolphe Vuilleumier and Anne Zehnacker

Phys. Chem. Chem. Phys., 2020, 22, 26047
DOI: 10.1039/D0CP03869E

The role of intramolecular hydrogen bonding in photoelectron circular dichroism: the diastereoisomers of 1-amino-2-indanol

Etienne Rouquet, Jennifer Dupont, Julien Vincent, Valéria Lepère, Anne Zehnacker, Sebastian Hartweg, Gustavo A. Garcia and Laurent Nahon

Phys. Chem. Chem. Phys., 2025, 27, 2739
DOI: 10.1039/D4CP04248D

Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies

Valeria Lepere, Katia Le Barbu-Debus, Carine Clavaguéra, Debora Scuderi, Giovanni Piani, Anne-Laure Simon, Fabien Chirot, Luke MacAleese, Philippe Dugourd and Anne Zehnacker

Phys. Chem. Chem. Phys., 2016, 18, 1807
DOI: 10.1039/C5CP06768E

Stereochemistry-dependent structure of hydrogen-bonded protonated dimers: the case of 1-amino-2-indanol

Aude Bouchet, Johanna Klyne, Shun-ichi Ishiuchi, Otto Dopfer, Masaaki Fujii and Anne Zehnacker

Phys. Chem. Chem. Phys., 2018, 20, 12430
DOI: 10.1039/C8CP00787J

Chiral differentiation of d- and l-isoleucine using permethylated β-cyclodextrin: infrared multiple photon dissociation spectroscopy, ion-mobility mass spectrometry, and DFT calculations

Sung-Sik Lee, Jae-ung Lee, Ju Hyeon Oh, Soojin Park, Yin Hong, Byeong Ki Min, Hyun Hee L. Lee, Hugh I. Kim, Xianglei Kong, Sungyul Lee and Han Bin Oh

Phys. Chem. Chem. Phys., 2018, 20, 30428
DOI: 10.1039/C8CP05617J

Chiral differentiation ofd- andl-alanine by permethylated β-cyclodextrin: IRMPD spectroscopy and DFT methods

Sung-Sik Lee, Soojin Park, Yin Hong, Jae-ung Lee, Jun-Hyeok Kim, Dongkyung Yoon, Xianglei Kong, Sungyul Lee and Han Bin Oh

Phys. Chem. Chem. Phys., 2017, 19, 14729
DOI: 10.1039/C7CP01085K

Stereochemistry-dependent hydrogen bonds stabilise stacked conformations in jet-cooled cyclic dipeptides: (LD) vs. (LL) cyclo tyrosine–tyrosine

Feriel BenNasr, Ariel Pérez-Mellor, Ivan Alata, Valeria Lepere, Nejm-Eddine Jaïdane and Anne Zehnacker

Faraday Discuss., 2018, 212, 399
DOI: 10.1039/C8FD00079D

Conformation of protonated glutamic acid at room and cryogenic temperatures

Aude Bouchet, Johanna Klyne, Shun-ichi Ishiuchi, Masaaki Fujii and Otto Dopfer

Phys. Chem. Chem. Phys., 2017, 19, 10767
DOI: 10.1039/C6CP08553A

Does the Residues Chirality Modify the Conformation of a Cyclo-Dipeptide? Vibrational Spectroscopy of Protonated Cyclo-diphenylalanine in the Gas Phase

Ivan Alata, Ariel Pérez-Mellor, Feriel Ben Nasr, Debora Scuderi, Vincent Steinmetz, Fabrice Gobert, Nejm-Eddine Jaïdane and Anne Zehnacker-Rentien

J. Phys. Chem. A, 2017, 121, 7130
DOI: 10.1021/acs.jpca.7b06159

Unusually Chemoselective Photocyclization of 2-(Hydroxyimino)aldehydes to Cyclobutanol Oximes: Synthetic, Stereochemical, and Mechanistic Aspects

Antonio Di Sabato, Francesca D’Acunzo, Dario Filippini, Fabrizio Vetica, Antonio Brasiello, Davide Corinti, Enrico Bodo, Cinzia Michenzi, Edoardo Panzetta and Patrizia Gentili

J. Org. Chem., 2022, 87, 13803
DOI: 10.1021/acs.joc.2c01503

Structures and infrared photodissociation of [(aniline)-(methanol)-(water)2]+

Hyun Wook Choi, Kuk Ki Kim, Bong Gyu Jeong, Jae Kyu Song and Seung Min Park

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2019, 220, 117119
DOI: 10.1016/j.saa.2019.05.024

Competing Insertion and External Binding Motifs in Hydrated Neurotransmitters: Infrared Spectra of Protonated Phenylethylamine Monohydrate

Aude Bouchet, Markus Schütz and Otto Dopfer

ChemPhysChem, 2016, 17, 232
DOI: 10.1002/cphc.201500939

One-Electron Oxidation of Methionine-Containing Dipeptides of Reverse Sequence: Sulfur versus Sulfoxide Characterized by IRMPD Spectroscopy and Static and Dynamics DFT Simulations

Barbara Gregori, Leonardo Guidoni, Maria Elisa Crestoni, Pedro de Oliveira, Chantal Houée-Levin and Debora Scuderi

J. Phys. Chem. B, 2017, 121, 2083
DOI: 10.1021/acs.jpcb.6b12638

Experimental and theoretical investigation of the enantioselective hydrogenation of ethyl pyruvate with a Pt catalyst with new non-cinchona chiral modifiers

José F. Ruggera, Andrea B. Merlo, Reinaldo Pis Diez and Mónica L. Casella

Journal of Molecular Catalysis A: Chemical, 2016, 423, 233
DOI: 10.1016/j.molcata.2016.07.009

Stereospecific collision-induced dissociation and vibrational spectroscopy of protonated cyclo (Tyr-Pro)

Ariel Pérez-Mellor, Ivan Alata, Valeria Lepere, Riccardo Spezia and Anne Zehnacker-Rentien

International Journal of Mass Spectrometry, 2021, 465, 116590
DOI: 10.1016/j.ijms.2021.116590

Structure and collision-induced dissociation of the protonated cyclo His-Phe dipeptide: mechanistic studies and stereochemical effects

Ariel Pérez-Mellor, Katia Le Barbu-Debus, Valeria Lepere, Ivan Alata, Riccardo Spezia and Anne Zehnacker

Eur. Phys. J. D, 2021, 75
DOI: 10.1140/epjd/s10053-021-00173-w

Chirality effects in the structures of jet-cooled bichromophoric dipeptides

Ariel Pérez-Mellor, Ivan Alata, Valeria Lepere and Anne Zehnacker

Journal of Molecular Spectroscopy, 2018, 349, 71
DOI: 10.1016/j.jms.2018.02.005

Interaction of Alkali Ions with Flavins: Infrared and Optical Spectra of Metal–Riboflavin Complexes

David Müller and Otto Dopfer

J. Phys. Chem. A, 2021, 125, 3146
DOI: 10.1021/acs.jpca.1c01846

Application of Infrared Multiple Photon Dissociation (IRMPD) Spectroscopy in Chiral Analysis

Yingying Shi, Mengying Du, Juan Ren, Kailing Zhang, Yicheng Xu and Xianglei Kong

Molecules, 2020, 25, 5152
DOI: 10.3390/molecules25215152

Exotic Protonated Species Produced by UV-Induced Photofragmentation of a Protonated Dimer: Metastable Protonated Cinchonidine

Ivan Alata, Debora Scuderi, Valeria Lepere, Vincent Steinmetz, Fabrice Gobert, Loïc Thiao-Layel, Katia Le Barbu-Debus and Anne Zehnacker-Rentien

J. Phys. Chem. A, 2015, 119, 10007
DOI: 10.1021/acs.jpca.5b06506

IRMPD Spectroscopy of Metalated Flavins: Structure and Bonding of Lumiflavin Complexes with Alkali and Coinage Metal Ions

Pablo Nieto, Alan Günther, Giel Berden, Jos Oomens and Otto Dopfer

J. Phys. Chem. A, 2016, 120, 8297
DOI: 10.1021/acs.jpca.6b08281

Competition between inter and intramolecular hydrogen bond evidenced by vibrational circular dichroism spectroscopy: The case of (1S,2R)‐(−)‐cis‐1‐amino‐2‐indanol

Katia Le Barbu‐Debus and Anne Zehnacker

Chirality, 2021, 33, 858
DOI: 10.1002/chir.23362

Inductive Effects on Intramolecular Hydrogen Bond Strength: An Investigation of the Effect of an Electron-Withdrawing CF3 Group Adjacent to an Alcohol Hydrogen Bond Donor

Kaili Yap, Kristin D. Krantzman and Richard J. Lavrich

J. Phys. Chem. A, 2023, 127, 7892
DOI: 10.1021/acs.jpca.3c03485

Effects of Aromatic Fluorine Substitution on Protonated Neurotransmitters: The Case of 2‐Phenylethylamine

Markus Schütz, Aude Bouchet, Barbara Chiavarino, Maria Elisa Crestoni, Simonetta Fornarini and Otto Dopfer

Chemistry A European J, 2016, 22, 8124
DOI: 10.1002/chem.201600798

Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer

Pierre Asselin, Bruno Madebène, Pascale Soulard, Robert Georges, Manuel Goubet, Thérèse R. Huet, Olivier Pirali and Anne Zehnacker-Rentien

The Journal of Chemical Physics, 2016, 145
DOI: 10.1063/1.4972016