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Home > Directory > Zehnacker-Rentien Anne > Zehnacker-Rentien Anne

Zehnacker-Rentien Anne

Directeur de recherche au CNRS

Contact :

anne.zehnacker-rentien@u-psud.fr

publications

The research of the group is described there Chirality and Spectroscopy

Short curriculum vitae

Curriclum Vitae Zehnacker

Possibility of summer project

Please visit the PhysChemChemPhys website and the special issue devoted to mass spectrometry coupled to optical spectroscopy


Research area

- Electronic and vibrational spectroscopy in the gas phase
- Mass spectrometry
- Hydrogen bond
- Photo-induced electron and proton transfer
- Molecular recognition - Chiral recognition
- Vibrational circular dichroism

Thesis Nathalie Seurre (in French) Thesis Ahmed Mahjoub (in French)
Thesis Ananya Sen ( In English)


Possibility of internship or summer project


We are interested in understanding the molecular interactions involved in life chemistry, especially hydrogen bonds and dispersion, as observed when two aromatic rings interact together. These two interactions compete for determining the structure of isolated molecules or their weakly bond complexes.

An important application of these interactions is molecular recognition, in particular chiral recognition

A molecule is said chiral when it cannot be superimposed with its mirror image, like the right hand cannot be superimposed with the left hand.

The interaction between two chiral molecules resembles shaking hands. The contact is different whether it happens between two right hands or between a left and a right hand. This process is tremendously important in Nature because most of the molecules related to life chemistry are chiral. This is the case of sugars, proteins, DNA… Some drugs are chiral too and won’t interact in the same way with the chiral receptors of the body whether they are left- or right handed.

The experiments led in the group intend to mimic what happens in Nature by reproducing the interactions responsible for chiral recognition in model systems, isolated in the gas phase. They aim at understanding the nature of these interactions at a molecular level. To this end, we combine laser spectroscopy in supersonic expansions or ion traps with quantum chemical calculations.

We thereby probe in detail the structure and dynamics of chiral molecules and molecular complexes. This allows studying the role of stereochemistry on the structure and elementary processes induced by light.

We compare the gas-phase results to solution-phase structure determination as deduced from vibrational circular dichroism.

The other subjects I have been interested in are

- proton translocation by tunneling effect in porphycene derivatives
ET Mengesha, A Zehnacker-Rentien, J Sepioł, M Kijak, J Waluk
J. Phys. Chem. 98 12198 (1994) , in collaboration with Ephriem Tadesse Mengesha, Jacek Waluk and Jerzy Sepiol de Department of Photochemistry and Spectroscopy of the Polish Adademy of Sciences

- Pump-probe experiments in an ion trap for structural characterisation of photoproducts in collaboration with Debora Scuderi LCP/Orsay

Just published on this subject

- Hyperconjugation effects in hydrazides in collaboration with Valérie Declerck and David Aitken ICCMO/Orsay and Michel Mons, Eric Gloaguen, Valérie Brenner Lidyl/CEN Sacaly

- Comparison of stereochemical effects on the structure of a neutral, radical cation and protonated molecule in collaboration with Aude Bouchet and Otto Dopfer Technical University Berlin

Collaboration

Lidyl/CEN Sacaly
Michel Mons, Eric Gloaguen, Valérie Brenner, B. Tardivel - ANR Project Esbodyr

Laboratoire de chimie physique - Orsay Debora Scuderi Philippe Maître

Institut Lumière MatièreLyon F. Chirot and Ph. Dugourd

Göttingen University Martin Suhm

Technical University Berlin Otto Dopfer

Department of Photochemistry and Spectroscopy of the Polish Adademy of Sciences J. Sepiol and J. Waluk


Bibliography

Book and review article

Chiral recognition in the Gas phase, Anne Zehnacker Ed. Taylor and Francis. 2010

Chirality recognition between neutral molecules in the gas phase
Zehnacker, A.; Suhm, M. A. Angewandte Chemie-International Edition 2008, 47, 6970.

4. Chirality effects in gas-phase spectroscopy and photophysics of molecular and ionic complexes: contribution of low and room temperature studies /0144235X.2014.911548#.VRwDfo6Gfhk
A Zehnacker
International Reviews in Physical Chemistry (2014) 33 (2), 151-207

A selection of papers

Proton transfer:

Spectroscopic Study of Jet-Cooled Deuterated Porphycenes: Unusual Isotopic Effects on Proton Tunneling
ET Mengesha, A Zehnacker-Rentien, J Sepioł, M Kijak, J Waluk
J. Phys. Chem. 98 12198 (1994)

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, Article ASAP

hydrogen bond

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy R Chaudret, B De Courcy, J Contreras-Garcia, E Gloaguen, A Zehnacker-Rentien, M Mons, J-P Piquemal
Physical Chemistry Chemical Physics (2014) 16 (21), 9876-9891

bichromophores

Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (±)-1-indanol clusters
J Altnöder, A Bouchet, JJ Lee, KE Otto, MA Suhm, A Zehnacker-Rentien
Physical Chemistry Chemical Physics (2013) 15 (25), 10167-10180

Molecules of astrophysical relevance

Fluorescence studies of terrylene in a supersonic jet: Indication of a dark electronic state below the allowed transition I. Deperasinska, A. Zehnacker, F. Lahmani, P. Borowicz, J. Sepiol, Journal of Physical Chemistry A 2007, 111, 4252.

Chiral recognition

Publications:

2018

Bouchet, A., Klyne, J., Ishiuchi, S. - I., Dopfer, O., Fujii, M., & Zehnacker, A. (2018). Stereochemistry-dependent structure of hydrogen-bonded protonated dimers: the case of 1-amino-2-indanol. Phys Chem Chem Phys, .
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Le Barbu-Debus, K., Scherrer, A., Bouchet, A., Sebastiani, D., Vuilleumier, R., & Zehnacker, A. (2018). Effect of puckering motion and hydrogen bond formation on the vibrational circular dichroism spectrum of a flexible molecule: the case of (S)-1-indanol. Phys Chem Chem Phys, .
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Pérez-Mellor, A., Alata, I., Lepere, V., & Zehnacker, A. (2018). Chirality effects in the structures of jet-cooled bichromophoric dipeptides. Journal of Molecular Spectroscopy, , sous presse.
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Sekiguchi, T., Tamura, M., Oba, H., Carcarbal, P., Lozada-Garcia, R. R., Zehnacker-Rentien, A., Gregoire, G., Ishiuchi, S. - I., & Fujii, M. (2018). Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach. Angew Chem Int Ed Engl, , 12976.
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2017

Alata, I., Perez-Mellor, A., Ben Nasr, F., Scuderi, D., Steinmetz, V., Gobert, F., Jaidane, N. E., & Zehnacker-Rentien, A. (2017). Does the Residues Chirality Modify the Conformation of a Cyclo-Dipeptide? Vibrational Spectroscopy of Protonated Cyclo-diphenylalanine in the Gas Phase. J. Phys. Chem. A, 121(38), 7130–7138.
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Bourguignon, B., Béroff, K., Bréchignac, P., Dujardin, G., Leach, S., & and Zehnacker-Rentien, A. (2017). In the wake of Physical Chemistry under irradiation: onward to the Institute of Molecular Sciences at Orsay. Histoire de la Recherche Contemporaine, 6, 16–27.
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Perez-Mellor, A., & Zehnacker, A. (2017). Vibrational circular dichroism of a 2,5-diketopiperazine (DKP) peptide: Evidence for dimer formation in cyclo LL or LD diphenylalanine in the solid state. Chirality, 29(2), 89–96.
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2016

Asselin, P., Madebene, B., Soulard, P., Georges, R., Goubet, M., Huet, T. R., Pirali, O., & Zehnacker-Rentien, A. (2016). Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer. Journal Of Chemical Physics, 145(22), 224313.
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Kumar, S., Lucas, B., Fayeton, J., Scuderi, D., Alata, I., Broquier, M., Le Barbu-Debus, K., Lepere, V., & Zehnacker, A. (2016). Photofragmentation mechanisms in protonated chiral cinchona alkaloids. Phys. Chem. Chem. Phys., 18(32), 22668–22677.
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Lepere, V., Le Barbu-Debus, K., Clavaguera, C., Scuderi, D., Piani, G., Simon, A. L., Chirot, F., MacAleese, L., Dugourd, P., & Zehnacker, A. (2016). Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies. Phys. Chem. Chem. Phys., 18(3), 1807–1817.
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2015

Alata, I., Scuderi, D., Lepere, V., Steinmetz, V., Gobert, F., Thiao-Layel, L., Le Barbu-Debus, K., & Zehnacker-Rentien, A. (2015). Exotic Protonated Species Produced by UV-Induced Photofragmentation of a Protonated Dimer: Metastable Protonated Cinchonidine. Journal Of Physical Chemistry A, 119(39), 10007–10015.
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Alauddin, M., Gloaguen, E., Brenner, V., Tardivel, B., Mons, M., Zehnacker-Rentien, A., Declerck, V., & Aitken, D. J. (2015). Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry. Chem. Eur. J., 21(46), 16479–16493.
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Bouchet, A., Klyne, J., Piani, G., Dopfer, O., & Zehnacker, A. (2015). Diastereo-specific conformational properties of neutral, protonated and radical cation forms of (1R,2S)-cis- and (1R,2R)-trans-amino-indanol by gas phase spectroscopy. Physical Chemistry Chemical Physics, 17(39), 25809–25821.
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Mengesha, E. T., Zehnacker-Rentien, A., Sepiol, J., Kijak, M., & Waluk, J. (2015). Spectroscopic Study of Jet-Cooled Deuterated Porphycenes: Unusual Isotopic Effects on Proton Tunneling. J. Phys. Chem. B, 119(6), 2193–2203.
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Zehnacker, A. (2015). Optical spectroscopy coupled with mass spectrometry methods. Physical Chemistry Chemical Physics, 17(39), 25672–25675.
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2014

Bouchet, A., Altnoder, J., Broquier, M., & Zehnacker, A. (2014). IR-UV spectroscopy of jet-cooled 1-indanol: Restriction of the conformational space by hydration. JOURNAL OF MOLECULAR STRUCTURE, 1076, 344–351.
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Chaudret, R., de Courcy, B., Contreras-Garcia, J., Gloaguen, E., Zehnacker-Rentien, A., Mons, M., & Piquemal, J. P. (2014). Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(21), 9876–9891.
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Gloaguen, E., Brenner, V., Alauddin, M., Tardivel, B., Mons, M., Zehnacker-Rentien, A., Declerck, V., & Aitken, D. J. (2014). Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 53(50), 13756–13759.
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Scuderi, D., Lepere, V., Piani, G., Bouchet, A., & Zehnacker-Rentien, A. (2014). Structural Characterization of the UV-Induced Fragmentation Products in an Ion Trap by Infrared Multiple Photon Dissociation Spectroscopy. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 5(1), 56–61.
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Zehnacker, A. (2014). Chirality effects in gas-phase spectroscopy and photophysics of molecular and ionic complexes: contribution of low and room temperature studies. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 33(2), 151–207.
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2013

Altnöder J., B. A., Lee J.J., Otto K.E., Suhm M.A., Zehnacker-Rentien A. (2013). Chirality-dependent balance between hydrogen bonding and London dispersion in isolated (±)-1-indanol clusters. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 15, 10167–10180.
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Mahjoub, A., Le Barbu-Debus, K., & Zehnacker, A. (2013). Structural Rearrangement in the Formation of Jet-Cooled Complexes of Chiral (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol with Methyl Lactate: Chirality Effect in Conformer Selection. JOURNAL OF PHYSICAL CHEMISTRY A, 117(14), 2952–60.
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Sen, A., Le Barbu-Debus, K., Scuderi, D., & Zehnacker-Rentien, A. (2013). Mass Spectrometry Study and Infrared Spectroscopy of the Complex Between Camphor and the Two Enantiomers of Protonated Alanine: The Role of Higher-Energy Conformers in the Enantioselectivity of the Dissociation Rate Constants. Chirality, 25, 436–443.
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Sen, A., Lepere, V., Le Barbu-Debus, K., & Zehnacker, A. (2013). How do Pseudoenantiomers Structurally Differ in the Gas Phase? An IR/UV Spectroscopy Study of Jet-Cooled Hydroquinine and Hydroquinidine. CHEMPHYSCHEM, 14(15), 3559–3568.
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2012

Sen, A., Bouchet, A., Lepere, V., Le Barbu-Debus, K., Scuderi, D., Piuzzi, F., & Zehnacker-Rentien, A. (2012). Conformational Analysis of Quinine and Its Pseudo Enantiomer Quinidine: A Combined Jet-Cooled Spectroscopy and Vibrational Circular Dichroism Study. JOURNAL OF PHYSICAL CHEMISTRY A, 116(32), 8334–8344.
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2011

Chakraborty, A., Guchhait, N., Le Barbu-Debus, K., Mahjoub, A., Lepere, V., & Zehnacker-Rentien, A. (2011). Role of Conformational Isomerism in Solvent-Mediated Charge Transfer in Chiral (S) 1,2,3,4-Tetrahydro-3-isoquinoline Methanol (THIQM): Condensed-Phase to Jet-Cooled Spectroscopic Studies. JOURNAL OF PHYSICAL CHEMISTRY A, 115(34), 9354–9364.
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Le Barbu-Debus, K., Sen, A., Broquier, M., & Zehnacker, A. (2011). Jet-cooled hydrates of Chiral (S) 1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): structure and mechanism of formation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(31), 13985–13991.
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Scuderi, D., Le Barbu-Debus, K., & Zehnacker, A. (2011). The role of weak hydrogen bonds in chiral recognition. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(40), 17916–17929.
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Sepiol, J., Grabowska, A., Borowicz, P., Kijak, M., Broquier, M., Jouvet, C., Dedonder-Lardeux, C., & Zehnacker-Rentien, A. (2011). Excited-state intramolecular proton transfer reaction modulated by low-frequency vibrations: An effect of an electron-donating substituent on the dually fluorescent bis-benzoxazole. JOURNAL OF CHEMICAL PHYSICS, 135(3), 034307.
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2010

Albrecht, M., Borba, A., Le Barbu-Debus, K., Dittrich, B., Fausto, R., Grimme, S., Mahjoub, A., Nedic, M., Schmitt, U., Schrader, L., Suhm, M. A., Zehnacker-Rentien, A., & Zischang, J. (2010). Chirality influence on the aggregation of methyl mandelate. NEW JOURNAL OF CHEMISTRY, 34(7), 1266–1285.
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Anne Zehnacker Ed. (2010). Chiral Recognition in the Gas Phase. CRC Press Taylor & Francis Group, .
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Chakraborty, A., Le Barbu-Debus, K., Zehnacker-Rentien, A., & Guchhait, N. (2010). Laser-induced fluorescence and dispersed fluorescence studies of the donor-acceptor system 4-amino 3-methyl benzoic acid methyl ester and its solvated clusters: Evidence of excited-state charge-transfer reaction. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 213(2-3), 164–170.
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Scuderi, D., Maitre, P., Rondino, F., Le Barbu-Debus, K., Lepere, V., & Zehnacker-Rentien, A. (2010). Chiral Recognition in Cinchona Alkaloid Protonated Dimers: Mass Spectrometry and UV Photodissociation Studies. JOURNAL OF PHYSICAL CHEMISTRY A, 114(9), 3306–3312.
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2009

Le Barbu-Debus, K., Broquier, M., Mahjoub, A., & Zehnacker-Rentien, A. (2009). 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. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(35), 7589–7598.
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Mahjoub, A., Chakraborty, A., Lepere, V., Le Barbu-Debus, K., Guchhait, N., & Zehnacker, A. (2009). Chirality-dependent hydrogen bond direction in jet-cooled (S)-1,2,3,4-tetrahydro-3-isoquinoline methanol (THIQM): IR-ion dip vibrational spectroscopy of the neutral and the ion. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(25), 5160–5169.
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2008

Le Barbu-Debus, K., Broquier, M., Mahjoub, A., & Zehnacker-Rentien, A. (2008). Chiral recognition between alpha-hydroxylesters: A double-resonance IR/UV study of the complexes of methyl mandelate with methyl glycolate and methyl lactate. JOURNAL OF PHYSICAL CHEMISTRY A, 112(40), 9731–9741.
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Zehnacker, A., & Suhm, M. A. (2008). Chirality recognition between neutral molecules in the gas phase. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 47(37), 6970–6992.
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2007

Deperasinska, I., Zehnacker, A., Lahmani, F., Borowicz, P., & Sepiol, J. (2007). Fluorescence studies of terrylene in a supersonic jet: Indication of a dark electronic state below the allowed transition. JOURNAL OF PHYSICAL CHEMISTRY A, 111(20), 4252–4258.
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Le Barbu-Debus, K., Guchhait, N., & Zehnacker-Rentien, A. (2007). Electronic and infrared spectroscopy of jet-cooled (+/-)-cis-1-amino-indan-2-ol hydrates. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 9(32), 4465–4471.
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Mahjoub, A., Le Barbu-Debus, K., & Zehnacker-Rentien, A. (2007). Double resonance IR/UV study of the complexes of methyl mandelate with ethyl glycolate and methyl lactate. In Fundamental and Applied Spectroscopy (Vol. 935, pp. 208–213).
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Proposition de stage 1 - 7.4 kb

Curriclum Vitae Zehnacker - 494.7 kb