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Katia Le Barbu-Debus

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Induced photoelectron circular dichroism onto an achiral chromophore

Etienne Rouquet , Madhusree Roy Chowdhury , Gustavo A Garcia , Laurent Nahon , Jennifer Dupont
Nature Communications, 2023, 14 (1), pp.6290. ⟨10.1038/s41467-023-42002-1⟩
Article dans une revue hal-04239788v1
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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-Debus
Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩
Article dans une revue hal-03923111v1
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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, pp.19783 - 19791. ⟨10.1039/d2cp03110h⟩
Article dans une revue hal-03788936v1
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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
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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
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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
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
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A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine

Venkateswara Rao Mundlapati , Zeynab Imani , Gildas Goldsztejn , Eric Gloaguen , Valérie Brenner
Amino Acids, 2021, 53 (4), pp.621-633. ⟨10.1007/s00726-021-02967-z⟩
Article dans une revue hal-03186714v1
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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 Gloaguen
Chemical Science, 2020, 11, pp.9191-9197. ⟨10.1039/D0SC03339A⟩
Article dans une revue hal-02917912v1
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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
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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
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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
Physical Chemistry Chemical Physics, 2020, 22 (45), pp.26047-26068. ⟨10.1039/D0CP03869E⟩
Article dans une revue hal-03014777v1
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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 Vuilleumier
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 Piani
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 Alata
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. Scuderi
Journal of Physical Chemistry A, 2012, 116 (32), pp.8334-8344. ⟨10.1021/jp3047888⟩
Article dans une revue hal-00755557v1

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 Lepère
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 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 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 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 hal-02305437v1

Spectroscopic studies of enantiomeric discrimination in jet-cooled chiral complexes

K. Le Barbu , A. Zehnacker-Rentien , F. Lahmani , M. Mons , F. Piuzzi
Chirality, 2001, 13 (10), pp.715-721. ⟨10.1002/chir.10016⟩
Article dans une revue 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 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 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
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 hal-02305345v1

Vibrational Circular Dichroism as a probe of the structure of crystals

Titouan Martenot , Sascha Jähnigen , Rodolphe Vuilleumier , Katia Le Barbu-Debus , Anne Zehnacker
Congrès Général de la Société Française de Physique, Jul 2023, Paris, France
Communication dans un congrès hal-04346187v1

Induced Photoelectron Circular Dichroism onto an achiral chromophore

Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Madhusree Roy-Chowdhury , Laurent Nahon
Core-2-Core Symposium, Oct 2023, Berlin (Germany), Germany
Communication dans un congrès hal-04346183v1

Conformer-specific photoelectron circular dichroism

Etienne Rouquet , Jennifer Dupont , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon
Photoemission of diluted sample, Sep 2023, Aussois (Savoie), France
Communication dans un congrès hal-04346181v1

Spectroscopy of chiral molecules

Etienne Rouquet , Valéria Lepère , Jennifer Dupont , Katia Le Barbu-Debus , Keisuke Hirata
Réunion du GDR Chirafun, Nov 2023, Rennes (FRA), France
Communication dans un congrès hal-04346184v1

Chirality Effects in the Structure and Reactivity of Biomolecular Ions and Complexes

Jennifer Dupont , Etienne Rouquet , Gustavo Garcia , Sebastian Hartweg , Laurent Nahon Koki Yoshizawa
Gordon Conference "Gaseous Ions: Structures, Energetics and Reactions", Feb 2023, Ventura (CA), United States
Communication dans un congrès hal-04346180v1

Chiroptical spectroscopy of flexible molecules at low and room temperature

Jennifer Dupont , Masato Tamura , Tsubasa Sekiguchi , Shun-Ichi Ishiuchi , Masaaki Fujii
Chemistry and Physics at low temperature (CPLT 2022), Jul 2022, Visegrád, Hungary, Hungary
Communication dans un congrès hal-04342400v1

What circular dichroism spectroscopy teaches us about solvation

Sascha Jähnigen , Jessica Bowles , Jennifer Dupont , Sébastien Hartweg , Madhusree Roy Chowdhury
Rencontres du GDR Solvate, May 2022, Paris, France
Communication dans un congrès hal-04337471v1

Spectroscopic studies of chirality

Jennifer Dupont , Ariel Pérez-Mellor , Katia Le Barbu-Debus , Valéria Lepère , Sebastian Hartweg
International Symposium on Molecular Spectroscopy, Jun 2022, Urbana (Illinois), United States
Communication dans un congrès hal-04333551v1

Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study

Tamura M. , Mori Y. , Sekiguchi T. , Ariel Pérez-Mellor , Alata I.
Rencontres de chimie physique 2021, Sep 2021, Sète (France), France
Communication dans un congrès hal-04332211v1

Chirality Effects in Molecular Structure and Recognition: a Spectroscopic Study

Mori Yuta , Pérez-Mellor Ariel , Katia Le Barbu-Debus , Hirata Keisuke , Valéria Lepère
French Swiss Photochemistry Symposium, Jan 2021, Genève (on line), Switzerland
Communication dans un congrès hal-04332177v1

Chirality effects in the structure and fragmentation of biomolecular clusters au symposium

Ariel Pérez-Mellor , Riccardo Spezzia , Masaaki Fujii , Shun Ichi Ishiuchi , Keisuke Hirata
Pacifichem Symposium““Structure and function of complex molecular clusters - challenges in theory and experiment”, Dec 2021, Honolulu (Online), United States
Communication dans un congrès hal-04336028v1

Study of (solid) state biomolecules by (vibrational) circular dichroism” au symposium

Sascha Jähnigen , Jennifer Dupont , Rodolphe Vuilleumier , Sebastian Hartweg , Gustavo Garcia
Pacifichem Symposium“New Frontier in Fundamental Science of Molecular Chirality, Dec 2021, Honolulu (Online), United States
Communication dans un congrès hal-04335975v1

Probing the Structure of Chiral Molecules and their Interactions: from Laser Spectroscopy to Circular Dichroism

Katia Le Barbu-Debus , Masaaki Fujii , Shun-Ichi Ishiuchi , Keisuke Hirata , Arne Scherrer
Réunion CECAM Benchmarking of electronic structure methods for non-covalent interactions, Nov 2021, Marne La Vallée, France
Communication dans un congrès hal-04335850v1

Flexible chiral molecules: from supersonic expansions to solid-state spectroscopy

Ariel Pérez-Mellor , Aude Bouchet , Valérie Declerck , David J. Aitken , Mohammad Alauddin
Ecole d’été du Collaborative Research Centre 1319 "ELCH" (Extreme Light for sensing and driving molecular CHirality) de l’Université de Kassel, Sep 2019, Bad Arolsen, Germany
Communication dans un congrès hal-04335692v1

Clustering of Flexible Chiral Molecules: Supersonic Expansion vs. Solid-State spectroscopy

Ariel Pérez-Mellor , Valérie Declerck , David J. Aitken , Mohammad Alauddin , Eric Gloaguen
International Symposium Frontiers in Cluster Science: Structure and Dynamics, Otto Dopfer, Nov 2019, Berlin (DE), Germany
Communication dans un congrès hal-04335784v1

Stereoselective molecular interactions and clustering in isolated biomolecules

Ariel Pérez-Mellor , Feriel BenNasr , Ivan Alata , Valéria Lepère , Katia Le Barbu-Debus
Molecular Interactions and Dynamics Gordon Research Conference, Jul 2018, Stonehill College in Easton, MA, United States
Communication dans un congrès hal-04333560v1

Chirality and Environment effects on the photofragmentation of cinchona alkaloids

Feriel Ben Nasr , Ivan Alata , Aude Bouchet , D. Scuderi , Valéria Lepère
Stereodynamics 2018, Sep 2018, Arosa, Switzerland
Communication dans un congrès hal-04333562v1

The Role of Chirality in the Conformational Preference of Dipeptides

Ivan Alata , Feriel BenNasr , Ariel F Pérez-Mellor , Valéria Lepère , Katia Le Barbu-Debus
Conference of the American Chemical Society, Mar 2018, La nouvelle Orléans, United States
Communication dans un congrès hal-04333556v1

Stereochemistry-dependent Hydrogen Bonds Stabilise Stacked Conformations in Jet-Cooled Cyclic Dipeptides: (LD) vs. (LL) cyclo Tyrosine Tyrosine

Feriel BenNasr , Ivan Alata , Nejmeddine Jaïdane , Ariel Pérez-Mellor , Valéria Lepère
Quantum Effects in Small Molecular Systems Faraday Discussion, Sep 2018, Edinburgh (Ecosse), United Kingdom
Communication dans un congrès hal-04333563v1

Influence de la chiralité au sein de poly-phénylalanines

Valeria Lepere , Katia Le Barbu-Debus , Anne Zehnacker , Ivan Alata , Ariel F Perez-Mellor
GDR EMIE, Jun 2015, Biarritz (France), France
Communication dans un congrès hal-04327247v1