Katia Le Barbu-Debus Chargée de Recherche CNRS

Identifiants chercheurs

IdHAL :

katia-le-barbu-debus

ORCID :

0000-0003-4019-4973

IdRef :

253118808

ResearcherID :

MFJ-0465-2025

Publications

Article dans une revue (33)

Modeling the Vibrational Circular Dichroism Spectroscopy of Phenylcyclohexanediol Solvated in Dimethyl Sulfoxide Using Polarizable Molecular Dynamics Emeline Boyer,Lou D’haese,Jessica Bowles,Sascha Jähnigen,Katia Le Barbu-Debuset al. Journal of Physical Chemistry B, 2026, ⟨10.1021/acs.jpcb.5c05306⟩ Article dans une revue hal-05451847v1
La section nationale handicap et la construction de revendications sur le handicap au SNCS-FSU Marion Ink,Katia Le Barbu-Debus,Maud Leriche,Laurent Loty,Damya Souamiet al. VRS - La vie de la recherche scientifique, 2025, 443, pp.24-26 Article dans une revue hal-05437573v1
Homochiral vs. heterochiral preference in chiral self-recognition of cyclic diols Jennifer Dupont,Beppo Hartwig,Katia Le Barbu-Debus,Valéria Lepère,Regis Guillotet al. Physical Chemistry Chemical Physics, 2024, ⟨10.1039/d4cp00351a⟩ Article dans une revue hal-04504045v1
Unveiling the conformational diversity of succinic acid: Insights from IR spectroscopy and quantum chemical calculations Lucas da Silva Sa,Ander Camiruaga,Katia Le Barbu-Debus,Jordan Claus,Manuel Goubetet al. Low Temperature Physics, 2024, 50 (9), pp.774-784. ⟨10.1063/10.0028183⟩ Article dans une revue hal-04713000v1
Induced photoelectron circular dichroism onto an achiral chromophore Etienne Rouquet,Madhusree Roy Chowdhury,Gustavo A Garcia,Laurent Nahon,Jennifer Dupontet al. Nature Communications, 2023, 14 (1), pp.6290. ⟨10.1038/s41467-023-42002-1⟩ Article dans une revue hal-04239788v1
Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model Zeynab Imani,V. Rao Mundlapati,Valérie Brenner,Eric Gloaguen,Katia Le Barbu-Debuset al. Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩ Article dans une revue hal-03923111v1
How change in chirality prevents β-amyloid type interaction in a protonated cyclic dipeptide dimer Katia Le Barbu-Debus,Ariel Pérez-Mellor,Valéria Lepère,Anne Zehnacker Physical Chemistry Chemical Physics, 2022, 24 (33), pp.19783 - 19791. ⟨10.1039/d2cp03110h⟩ Article dans une revue hal-03788936v1
How Crystal Symmetry Dictates Non-Local Vibrational Circular Dichroism in the Solid State Sascha Jähnigen,Katia Le Barbu-Debus,Régis Guillot,Rodolphe Vuilleumier,Anne Zehnacker Angewandte Chemie International Edition, 2022, ⟨10.1002/anie.202215599⟩ Article dans une revue hal-03926814v1
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 Speziaet al. The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2021, 75 (6), ⟨10.1140/epjd/s10053-021-00173-w⟩ Article dans une revue hal-03249830v1
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,Anne Zehnacker Chirality, 2021, ⟨10.1002/chir.23362⟩ Article dans une revue hal-03356734v1
A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine Venkateswara Rao Mundlapati,Zeynab Imani,Gildas Goldsztejn,Eric Gloaguen,Valérie Brenneret al. Amino Acids, 2021, 53 (4), pp.621-633. ⟨10.1007/s00726-021-02967-z⟩ Article dans une revue hal-03186714v1
Conformation control through concurrent N–H⋯S and N–H⋯O=C hydrogen bonding and hyperconjugation effects Zeynab Imani,Venkateswara Rao Mundlapati,Gildas Goldsztejn,Valerie Brenner,Eric Gloaguenet al. Chemical Science, 2020, 11, pp.9191-9197. ⟨10.1039/D0SC03339A⟩ Article dans une revue hal-02917912v1
Solid‐state synthesis of cyclo LD‐diphenylalanine: A chiral phase built from achiral subunits Ariel Pérez‐mellor,Katia Le Barbu-Debus,Anne Zehnacker Chirality, 2020, 32 (5), pp.693-703. ⟨10.1002/chir.23195⟩ Article dans une revue hal-02571724v1
Homochiral vs. heterochiral sodium core dimers of tartaric acid esters: A mass spectrometry and vibrational spectroscopy study Katia Le Barbu-Debus,Debora Scuderi,Valéria Lepère,Anne Zehnacker Journal of Molecular Structure, 2020, 1205, pp.127583. ⟨10.1016/j.molstruc.2019.127583⟩ Article dans une revue hal-02441869v1
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 Calvoet al. Physical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩ Article dans une revue hal-03014777v1
Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of ( S )-1-indanol Katia Le Barbu-Debus,Arne Scherrer,Aude Bouchet,Daniel Sebastiani,Rodolphe Vuilleumieret al. Physical Chemistry Chemical Physics, 2018, 20 (21), pp.14635-14646. ⟨10.1039/c8cp01695j⟩ Article dans une revue hal-02070261v1
Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies Valéria Lepère,Katia Le Barbu-Debus,Carine Clavaguera,D. Scuderi,Giovanni Pianiet al. Physical Chemistry Chemical Physics, 2016, 18 (3), pp.1807-18017. ⟨10.1039/c5cp06768e⟩ Article dans une revue hal-01356198v1
Photofragmentation mechanisms in protonated chiral cinchona alkaloids Sunil Kumar,Bruno Lucas,Jacqueline Fayeton,Debora Scuderi,Ivan Alataet al. Physical Chemistry Chemical Physics, 2016, 18 (32), pp.22668 - 22677. ⟨10.1039/C6CP04041A⟩ Article dans une revue hal-01385253v1
Conformational Analysis of Quinine and Its Pseudo Enantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and Vibrational Circular Dichroism Study A. Sen,Alexandra Bouchet,V. Lepere,Barbu-Debus K. Le,D. Scuderiet al. Journal of Physical Chemistry A, 2012, 116 (32), pp.8334-8344. ⟨10.1021/jp3047888⟩ Article dans une revue hal-00755557v2
The role of weak hydrogen bonds in chiral recognition D. Scuderi,Katia Le Barbu-Debus,A. Zehnacker Physical Chemistry Chemical Physics, 2011, 13 (40), pp.17916. ⟨10.1039/C1CP20987F⟩ Article dans une revue hal-02305440v1
Jet-cooled hydrates of Chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation Katia Le Barbu-Debus,Ananya Sen,Michel Broquier,Anne Zehnacker-Rentien Physical Chemistry Chemical Physics, 2011, 13, pp.13985-13991. ⟨10.1039/c1cp20939f⟩ Article dans une revue hal-00915267v1
Chiral recognition in cinchona alkaloid protonated dimers: Mass spectrometry and UV photodissociation studies Debora Scuderi,Philippe Maître,Flaminia Rondino,Katia Le Barbu-Debus,Valeria Lepèreet al. Journal of Physical Chemistry A, 2010, 114 (9), pp.3306-3312. ⟨10.1021/jp9094497⟩ Article dans une revue hal-03617120v1
Chiral recognition in jet-cooled complexes of (1R,2S)-(+)-cis-1-amino-2- indanol and methyl lactate: On the importance of the CH⋯π interaction Katia Le Barbu-Debus,Michel Broquier,Ahmed Mahjoub,Anne Zehnacker-Rentien Physical Chemistry Chemical Physics, 2009, ⟨10.1039/b906834a⟩ Article dans une revue istex hal-03617125v1
Chiral recognition in jet-cooled complexes of (1R,2S)-(+)-cis-1-amino-2-indanol and methyl lactate: on the importance of the CH...pi interaction. K. Le Barbu-Debus,M. Broquier,A. Mahjoub,A. Zehnacker-Rentien Physical Chemistry Chemical Physics, 2009, 11 (35), pp.7589-98 Article dans une revue hal-00915290v1
Chiral recognition between alpha-hydroxylesters: a double-resonance IR/UV study of the complexes of methyl mandelate with methyl glycolate and methyl lactate. Katia Le Barbu-Debus,Michel Broquier,Ahmed Mahjoub,Anne Zehnacker-Rentien Journal of Physical Chemistry A, 2008, 112 (40), pp.9731-41. ⟨10.1021/jp711546p⟩ Article dans une revue istex hal-00915259v1
Localization of electronic and vibrational energy in the jet-cooled m-cyanophenol/o-cyanophenol dimer: laser induced fluorescence and fluorescence-dip IR spectra K. Le Barbu-Debus,M. Broquier,F. Lahmani,A. Zehnacker-Rentien Molecular Physics, 2005, 103 (11-12), pp.1655-1662 Article dans une revue hal-00915305v1
Electronic and vibrational spectroscopy of jet-cooled m-cyanophenol and its dimer: laser-induced fluorescence and fluorescence-dip IR spectra in the S0 and S1 states N. Seurre,K. Le Barbu-Debus,F. Lahmani,A. Zehnacker-Rentien,Jerzy Sepioł Chemical Physics, 2003, 295 (1), pp.21-33. ⟨10.1016/J.CHEMPHYS.2003.07.009⟩ Article dans une revue istex hal-02305447v1
Formation of Hydrogen-Bonded Structures in Jet-Cooled Complexes of a Chiral Chromophore Studied by IR/UV Double Resonance Spectroscopy: Diastereoisomeric Complexes of (±)-2-Naphthyl-1-ethanol with (±)-2-Amino-1-propanol K. Le Barbu,F. Lahmani,A. Zehnacker-Rentien Journal of Physical Chemistry A, 2002, 106 (26), pp.6271-6278. ⟨10.1021/JP014673V⟩ Article dans une revue istex hal-02305437v1
Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes K. Le Barbu,A. Zehnacker-Rentien,F. Lahmani,M. Mons,F. Piuzziet al. Chirality, 2001, 13 (10), pp.715-721. ⟨10.1002/chir.10016⟩ Article dans une revue istex hal-00144704v1
IR-UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes K. Le Barbu,F. Lahmani,M. Mons,M. Broquier,A. Zehnacker Physical Chemistry Chemical Physics, 2001, 3 (21), pp.4684-4688. ⟨10.1039/b105036m⟩ Article dans une revue istex hal-00915440v1
IR-UV investigation of the structure of the 1-phenylethanol chromophore and its hydrated complexes K. Le Barbu,F. Lahmani,M. Mons,M. Broquier,A. Zehnacker-Rentien Physical Chemistry Chemical Physics, 2001, 3, pp.4684-4688. ⟨10.1039/b105036m⟩ Article dans une revue istex hal-00144687v1
Microsolvation of similar-sized aromatic molecules: Photoelectron spectroscopy of bithiophene–, azulene–, and naphthalene–water anion clusters J. Schiedt,W. Knott,K. Le Barbu,E. Schlag,R. Weinkauf The Journal of Chemical Physics, 2000, 113 (21), pp.9470-9478. ⟨10.1063/1.1319874⟩ Article dans une revue hal-02305353v1
An Experimental and Theoretical Study of Jet-Cooled Complexes of Chiral Molecules: The Role of Dispersive Forces in Chiral Discrimination K. Le Barbu,V. Brenner,Ph. Millié,F. Lahmani,A. Zehnacker-Rentien Journal of Physical Chemistry A, 1998, 102 (1), pp.128-137. ⟨10.1021/JP972465Q⟩ Article dans une revue istex hal-02305345v1