Michel MONS

Scientific Advisor to CEA/DRF

(Direction de la Recherche Fondamentale / Commissariat à l Energie Atomique ; Saclay)

Laboratoire Interactions, DYnamiques and Lasers

DRF/IRAMIS/LIDYL ; Université Paris-Saclay

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michel.mons@cea.fr

 

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Recent publications

     DNA bases

     Peptides


Significant     publications

PhD & PostDocs

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Jan. 2024

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

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RESEARCH FIELD

 

BASIC RESEARCH

                            IN GAS PHASE PHYSICAL CHEMISTRY

                    

 

·          ISOLATED MOLECULES: photoexcitation, photoionisation

·          MOLECULAR CLUSTERS : structure and dynamics

 

·          Conformations of flexible molecules...

 

        and underlying interactions

 

 

 

 

Motivations

 Biomolecules and bioinspired polymers are often flexible, which means that they exist under several conformations. Studying them under "solvent-free" conditions, in the gas phase, allows us:

·          to isolate the most stable structures

·          to identify these structures, through a precise characterisation of the interactions that stabilise them, in particular their H-bonding network

·          and then to document the dependance of the molecular properties upon their structure, namely the link between conformation and electronic properties, including energy relaxation after absorption, reactivity, etc ...

 Following structural studies of biomolecules as models of short peptide chains, which has allowed us to isolate typical secondary structures of proteins in the gas phase , the current studies are organised according to three directions:

·          On complex model peptides, the structural studies will be pursued, with a special emphasis on: i) the role of hydration on the molecular structural properties, including its flexibility, ii) the role of heteroatoms, like sulfur, whose interactions with the protein environment still deserves documentation, and iii) the role of neighbouring aromatic residues, in the formation of hydrophobic regions

·          On bioinspired molecules, the structure of foldamers, oligomers of synthetic peptides modified by the chemist to get specific folding properties (for example, formation of helices or, more originally ribbons, mimicking a segment of protein): the structural information collected on small building blocks of these polymers allows an efficient orientation of the synthesis efforts towards the most promising species

·          On small model peptides, the electronic relaxation, following a photoexcitation of aromatic residues in the UV range: here, at stakes, in a context of photodammages to the living material, is the understanding of the often ultrafast relaxation pathways, their dependence upon the structure and their modelling through a quantum chemical description of the electronic excited states

Methods

 

  Experimental

 

Supersonic expansion coupled to laser desorption

Photoexcitation using UV and IR pulsed lasers (nanosecond or femtosecond range)

Time-of-flight mass spectrometry

 

   Theory

  

Quantum Chemistry: Ground and excited states

Force fields

 

 

Curriculum Vitae

 

       Scientific Advisor to the Direction of Basic Research at CEA (July 2023)

       Researcher (1988-2023) at CEA (Commissariat à l’Energie Atomique ; French Agency for Atomic Energy)  

                                    

·          PhD in Physical Sciences (1984-88) (thèse d’Etat)

·          Agrégé de Sciences Physiques (1982)

·          Ecole Normale Supérieure St-Cloud (1979-83)

 

Sabbatical Year 1998-99

    PTCL (Prof J.P. Simons), Department of Chemistry, Univ. of Oxford, UK

 

Recent or on-going collaborations

ˇ          E. Gloaguen, P. Carcabal ; Univ. Paris-Saclay & CNRS, F

ˇ          D. Aitken , ICMMO, Univ. Paris-Sud & CNRS, F

 

recent Publications

Foldamers and H-bonding : the TUNIFOLDS project

The aim of this project to conceive new foldamer building blocks whose flexibility can be finely tuned thanks to the presence of an aliphatic thioether function, and to explore the ability of these building blocks to induce new folding topologies in backbones which do not normally fold, or to promote alternative folding architectures in short oligomers. The originality of the project, which unites organic chemists, gas phase and condensed spectroscopists and theoretical chemists, lies in the unique combination of (a) the exploitation of the specific properties of sulfur for the fine tuning of non-covalent interactions in foldamer manifolds; (b) the characterization of foldamer model conformations using conformer-selective spectroscopic gas phase techniques, which is still highly unusual in the foldamer field, as well as vibrational circular dichroism in solution; and (c) the role of theory for guidance during the selection of appropriate building blocks.


Effects of sulfoxide and sulfone sidechain-backbone hydrogen bonding on local conformations in peptide models
D.Y. Liu, S. Robin, E. Gloaguen, V. Brenner, M. Mons, D.J. Aitken  ;

Chemical Communications
  2024, in press

 

Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based a-Amino Acid: The Critical Role of NH - N H-Bonds conformation in a flexible single-residue model
D.Y. Liu, J.-X. Bardaud, Z. Imani, S. Robin, E. Gloaguen, V. Brenner, D.J. Aitken, M. Mons  ;

Molecules
  2023, 28, 5048

 

Non-covalent interactions reveal the protein chain d conformation in a flexible single-residue model
Z. Imani, V.R. Mundlapati, V. Brenner, E. Gloaguen, K. Le Barbu-Debus, A. Zehnacker-Rentien, S. Robin, D.J. Aitken, M. Mons  ;

Chemical Communications
  2023, 59, 1161-1164

 

Selenium in Proteins: Conformational Changes Induced by Se Substitution on Methionine, as Studied in Isolated Model Peptides by Optical Spectroscopy and Quantum Chemistry
G. Goldsztejn, V.R. Mundlapati, V. Brenner, E. Gloaguen and M. Mons  ;

Molecules
  2022, 27, 3163

 

Characterization of Asx-turn types and their connate relationship with b-turns
V.C. D'mello, G. Goldsztejn, V.R. Mundlapati, V. Brenner, E. Gloaguen, F. Charnay-Pouget, D.J. Aitken and M. Mons ;

Chemistry, A European Journal
  2022, 28 , e202104328

 

N-H - - - X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic a-amino acid derivatives
V.R. Mundlapati, Z. Imani, V.C. D'mello, V. Brenner, E. Gloaguen, J.-P. Baltaze, S. Robin, M. Mons, D.J. Aitken ;

Chemical Science
  2021, 12, 14826-14832

 

A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine
V.R. Mundlapati, Z. Imani, G. Goldsztejn, E. Gloaguen, V. Brenner, K. Le Barbu-Debus, A. Zehnacker, J.-P. Baltaze, S. Robin, M. Mons, D.J. Aitken ;

Amino Acids
  2021, 53, 621-633

 

Conformation control through concurrent N-H - - - S and N-H - - - O=C hydrogen bonding and hyperconjugation effects
Z. Imani, V.R. Mundlapati, G. Goldsztejn, V. Brenner, E. Gloaguen, R. Guillot, J.-P. Baltaze, K. Le Barbu-Debus, S. Robin, A. Zehnacker, M. Mons, D.J. Aitken  ;

Chemical Science
  2020, 11, 9191-9197

 

Intrinsic folding of the cysteine residue: competition between compact and extended forms mediated by the -SH group
G. Goldsztejn, V.R. Mundlapati, J. Donon, V.Brenner, E. Gloaguen, M. Mons, C. Cabezas, I. Leon and J.L. Alonso  ;

Phys. Chem. Chem. Phys.
  2020, 22, 20284-20294 ; 2020 PCCP HOT Article

 

An Intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations
G. Goldsztejn, V. R. Mundlapati, J. Donon, B. Tardivel, E. Gloaguen, V. Brenner and M. Mons ;

Phys. Chem. Chem. Phys.
  2020, 22, 20409-20420 ; 2020 PCCP HOT Article

 

Rationalizing the diversity of amide-amide H-bonding in peptides using the Natural Bond Orbital method
V. Brenner, E. Gloaguen and M. Mons ;

Phys. Chem. Chem. Phys.
  2019, 21, 24601-24619


Vibrational circular dichroism as a probe of solid-state organisation of derivatives of cyclic b-amino acids: cis- and trans-2-aminocyclobutane-1-carboxylic acid
V. Declerck, A. Perez-Mellor, R. Guillot, D.J. Aitken, M. Mons, A. Zehnacker  ;

Chirality
  2019, 31, 547-560

 

Intrinsic folding proclivities in cyclic b-peptide building blocks: configuration and heteroatom effects analyzed by gas phase conformer-selective spectroscopy and quantum chemistry
M. Alauddin, E. Gloaguen, V. Brenner, B. Tardivel. M. Mons, A. Zehnacker-Rentien, V. Declerck, D.J. Aitken  ;

Chemistry, a European Journal
  2015, 21, 16479-16493

 

Model peptide chains

 

The interest of studies of model peptides stems from the possibility to collect precise spectroscopic data, which can be used as experimental reference to validate the theoretical models describing the small peptides, a necessary step for protein modelling. The small peptides studied, protected at their ends, can be considered as mimicking a short peptide segment and therefore enable us to tackle fundamental issues like the competition between the several secondary structures of proteins, namely b-turns, b-strands, 27 ribbons or 310 and a helices.

Most recently, our interest focused on hydrates of models of protein chains, on polar protein residues, such as His, Asn or Asp, which exhibits a great diversity of H-bonding interactions, on exotic types of H-bonds, like those involving a S heteroatom, or on ion pairs modelling the interaction between a negatively charged residue and a metal cation. In parallel, the photophysics of aromatic residues in these protein chain models was also targeted.


b-N-Heterocyclic Cyclobutane Carboximides: Synthesis through a Tandem Base-Catalyzed Amidation/aza-Michael Addition Protocol and Facile Transformations
S. Barranco, F. Cuccu, D.Y. Liu, S. Robin, R. Guillot, F. Secci, V. Brenner, M. Mons, P. Caboni, D.J. Aitken, A. Frongia  ;

Eur. J. Org. Chem.
  2023, 26, e2023001

 

Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols
M. Lebel, T. Very, E. Gloaguen, B. Tardivel, M. Mons, V. Brenner  ;

Int. J. Mol. Sci.
  2022, 23, 621

Ion Pair Supramolecular Structure Identified by ATR-FTIR Spectroscopy and Simulations in Explicit Solvent
J. Donon, S. Habka, T. Very, F. Charnay-Pouget, M. Mons, D.J. Aitken, V. Brenner, E. Gloaguen  ;

Chem Phys Chem
  2021, 22, 2442-2455

 

Conformational Analysis by UV Spectroscopy: the Decisive Contribution of Environment-Induced Electronic Stark Effects
J. Donon, S. Habka, M. Mons, V. Brenner, E. Gloaguen  ;

Chemical Science
  2021, 12, 2803-2815

 

Review: Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues
E. Gloaguen, M. Mons, K. Schwing and M. Gerhards  ;

Chemical Reviews
  2020, 120, 12490-12562

 

CC2 Benchmark for Models of Phenylalanine Protein Chains: 0-0 Transition Energies and IR Signatures of the pp* Excited State
MS. Dupuy, E. Gloaguen, B. Tardivel, M. Mons, V. Brenner  ;

Journal of Chemical Theory and Computation
  2020, 16, 601-611

 

Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations
S. Habka, T. Very, J. Donon, V. Vaquero-Vara, B. Tardivel, F. Charnay-Pouget, M. Mons, D.J. Aitken, V. Brenner and E. Gloaguen  ;

Phys. Chem. Chem. Phys.
  2019, 21, 12798-12805

 

On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins
W.Y. Sohn, S. Habka, V. Vaquero-Vara, M. Géléoc, B. Tardivel, V. Brenner, E. Gloaguen and M. Mons ;

Phys. Chem. Chem. Phys.
  2018, 20, 3411-3423

 

Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteins
W.Y. Sohn, S. Habka, E. Gloaguen and M. Mons ;

Phys. Chem. Chem. Phys.
  2017, 19, 17128-17142

 

Correcting the record: the dimers and trimers of trans-N-methylacetamide
T. Forsting, H.C. Gottschalk, B. Hartwig, M. Mons, M.A. Suhm  ;

Phys. Chem. Chem. Phys.
  2017, 19, 10727-10737

 

Gas-Phase Spectroscopic Signatures of Carboxylate-Li+ Contact Ion Pairs: New Benchmarks For Characterizing Ion Pairing in Solution
S. Habka, V. Brenner, M. Mons, E. Gloaguen  ;

J. Phys. Chem. Lett.
  2016, 7, 1192-1197

 

Local NH - p interactions involving aromatic residues of proteins: influence of backbone conformation and pp* excitation on the p H-bond strength, as revealed from studies of isolated model peptides
W.Y. Sohn, E. Gloaguen, V. Brenner, M. Mons  ;

Phys. Chem. Chem. Phys.
  2016, 18, 29969-29978

 

Gas phase double resonance IR/UV spectroscopy of an alanine dipeptide analogue using a non-covalently bound UV-tag : observation of a folded peptide conformation in the Ac-Ala-NH2 – toluene complex
E. Gloaguen, B. Tardivel. M. Mons  ;

Structural Chemistry; Special issue O. Shishkin
  2016, 27, 225-230

Intrinsic folding proclivities in cyclic b-peptide building blocks: configuration and heteroatom effects analyzed by gas phase conformer-selective spectroscopy and quantum chemistry
M. Alauddin, E. Gloaguen, V. Brenner, B. Tardivel. M. Mons, A. Zehnacker-Rentien, V. Declerck, D.J. Aitken  ;

Chemistry, a European Journal
  2015, 21, 16479-16493

 

Intra-residue interactions in proteins: interplay between Serine or Cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides
M. Alauddin, H.S. Biswal, E. Gloaguen, M. Mons  ;

Phys. Chem. Chem. Phys.   2015, 17, 2169-2178

 

Review: Isolated Neutral Peptides
E. Gloaguen & M. Mons  ;

Topics in Current Chemistry   2015, 364, 225-270
Volume dedicated to "Gas-phase IR Spectroscopy for the Structural Characterization of Biomolecules" (A.M Rijs & J. Oomens Ed.)

 

Secondary structures in Phe-containing isolated dipeptide chains: laser spectroscopy vs. quantum chemistry
Y. Loquais, E. Gloaguen, S. Habka, V. Vaquero-Vara, V. Brenner, B. Tardivel and M. Mons  ;

J. Phys. Chem. A, Invited paper Special issue J.-M. Mestdagh   2015, 119, 5932-5941

 

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides
E. Gloaguen, V. Brenner, M. Alauddin, B. Tardivel, M. Mons, A. Zehnacker-Rentien, V. Declerck, D. J. Aitken  ;

Angew. Chem. Int. Ed.  2014, 53, 13756-13759

 

On the near UV photophysics of a phenylalanine residue: conformation-dependent pp* state deactivation revealed by laser spectroscopy of isolated neutral dipeptides
Y. Loquais, E. Gloaguen, M. Alauddin, V. Brenner, B. Tardivel, M. Mons  ;

Phys. Chem. Chem. Phys.   2014, 16, 22192-22200

 

Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution
M. Malis, Y. Loquais, E. Gloaguen, C. Jouvet, V. Brenner, M. Mons, I. Ljubic, N. Doslic  ;

Phys. Chem. Chem. Phys.  2014, 16, 2285-2288

 

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  ;
 
       
Phys. Chem. Chem. Phys.  16 , 9876-9891

 

Spontaneous Formation of Hydrophobic Domains in Isolated Peptides
E. Gloaguen, Y. Loquais, J.A. Thomas, D.W. Pratt, M. Mons  ;

J. Phys. Chem. B  2013, 117, 4945–4955

 

Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue
M. Malis, Y. Loquais, E. Gloaguen, H.S. Biswal, F. Piuzzi, B. Tardivel, V. Brenner, M. Broquier, C. Jouvet, M. Mons, N. Doslic, and I. Ljubic;
 
       
J. Am. Chem. Soc.  2012, 134, 20340–20351

 

Far/Mid Infrared Signatures of Solvent-Solute Interactions in a Microhydrated Model Peptide Chain
M. Cirtog, A.M. Rijs, Y. Loquais, V.Brenner, B.Tardivel, E. Gloaguen and M. Mons  ;
 
       
J. Phys. Chem. Lett.  2012, 3, 3307–3311

 

The strength of NH---S hydrogen bonds in methionine residues revealed by gas phase IR/UV spectroscopy
H.S. Biswal, E. Gloaguen, Y. Loquais, B. Tardivel and M. Mons  ;  
       
J. Phys. Chem. Lett.  2012, 3, 755-779

 

Compact folding of isolated four-residue neutral peptide chains: H-bonding patterns and entropy effects
R.J. Plowright, E. Gloaguen and M. Mons  ;  
       
Chem. Phys. Chem.  2011, 12, 1889-1899; K. Kleinermanns Special Issue

 

Structure of the Indole-Benzene Dimer Revisited
H. S. Biswal, E. Gloaguen, M. Mons, S. Bhattacharyya, P.R. Shirhatti, and S.Wategaonkar  ;  
       
J. Phys. Chem. A  2011, 115, 9485-9492 , D.W. Pratt Festschrift

 

Isolated Monohydrates of a Model Peptide Chain: Effect of a First Water Molecule on the Secondary Structure of a Capped Phenylalanine
H. S. Biswal, Y. Loquais, B. Tardivel, E. Gloaguen, M. Mons  ;  
       
J. Am. Chem. Soc.   2011, 133 , 3931-3942

 

Gas phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory
E. Gloaguen, B. de Courcy, J. P. Piquemal, J. Pilmé, O. Parisel, R. Pollet, H. S. Biswal, F. Piuzzi, B. Tardivel, M. Broquier, M. Mons ;  
       
J. Am. Chem. Soc.   2010, 120 , 11860–11863

 

Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides
E. Gloaguen, H. Valdes, F. Pagliarulo, R. Pollet, B. Tardivel, P. Hobza, F. Piuzzi, and M. Mons ;  
       
J. Phys. Chem.   2010, 114 , 2973–2982; B. Soep Festschrift

 

Gas phase folding of a (Ala)4 neutral peptide chain: spectroscopic evidence for the formation of a b -hairpin H-bonding pattern
E. Gloaguen, R. Pollet, F. Piuzzi, B. Tardivel, M. Mons ;  
       
Phys. Chem. Chem. Phys.  2009, 11, 11385–11388

 

Intramolecular chiral recognition in a jet-cooled short peptide chain: gamma-turn helicity probed by a neighbouring residue
E. Gloaguen, F. Pagliarulo, W. Chin, V. Brenner, F. Piuzzi, B. Tardivel, M. Mons ;  
       
Phys. Chem. Chem. Phys.  2007, 9, 4491  ; Hot Paper,

Special Issue on the spectroscopic probes of Molecular recognition (M. Suhm, Ed.)                           Link to the journal

 

Spectroscopic Evidences for the Formation of Helical Structures in Gas Phase Short Peptide Chains

V. Brenner, F. Piuzzi, I. Dimicoli, B. Tardivel, and M. Mons

        J. Phys. Chem. A  2007,111, 7347

Special Issue dedicated to R.E. Miller              Link to the journal  

 

Chirality-controlled formation of b-turn secondary structures in short peptide chains: gas phase experiment vs. quantum chemistry

V. Brenner, F. Piuzzi, I. Dimicoli, B. Tardivel, and M. Mons

       Angew. Chemie Int. Ed. 2007, 46 , 2463         Link to the journal     

      

Review Article: Probing the competition between  secondary structures and local preferences in gas phase isolated peptide backbones

Chin, W.; Piuzzi, F.; Dimicoli, L.; Mons, M.

             Phys. Chem. Chem. Phys.  Invited paper 2006, 8, 10033

                                                                              Link to the journal

 

Gas phase formation of a 310-helix in a three-residue peptide chain: Role of side chain-backbone interactions as evidenced by IR-UV double resonance experiments

Chin, W.; Piuzzi, F.; Dognon, J. P.; Dimicoli, L.; Tardivel, B.; Mons, M.

            J. Am. Chem. Soc. 2005, 127, 11900         Link to the journal

 

Spectroscopic evidence for gas phase formation of successive b-turns in a three-residue peptide chain

Chin, W.; Compagnon, I. ; Dognon, J.-P.;Canuel, C. ;  Piuzzi, F.; Dimicoli, I. ; M.; von Helden, G.;  Meijer, G, and M. Mons

   J. Am. Chem. Soc. 2005, 127, 1388           Link to the journal                                     

 

Secondary structures of Val-Phe and Val-Tyr(Me) peptide chains in the gas phase: effect of the nature of the protecting groups

Chin, W.; Dognon, J.-P.; Piuzzi, F.; Dimicoli, I.; Mons, M.

            Mol. Phys. 2005, 103, 1579                    Link to the journal

 

Gas-phase models of g- turns: Effect of side-chain/backbone interactions investigated by IR/UV spectroscopy and quantum chemistry

Chin, W.; Piuzzi, F.; Dognon, J. P.; Dimicoli, I.; Mons, M.

            J. Chem. Phys. 2005, 123, 084301      Link to the journal

 

Secondary structures of short peptide chains in the gas phase:

double resonance spectroscopy of protected dipeptides

Chin, W.; Dognon, J.-P.;Canuel, C. ;  Piuzzi, F.; Dimicoli, I. ; Mons, M.;Compagnon, I. ; von Helden, G. and Meijer, G

 J. Chem. Phys. 2005, 122, 054317              Link to the Journal            

 

Intrinsic folding of small peptide chains: Spectroscopic evidence for the formation of b-turns in the gas phase

Chin, W.; Dognon, J.-P.;Canuel, C. ;  Piuzzi, F.; Dimicoli, I. ; Mons, M.;Compagnon, I. ; von Helden, G. and Meijer, G

J. Am. Chem. Soc. 2005, 127, 707            Link to the journal          

 

The gas-phase dipeptide analogue acetyl-phenylalanyl-amide: A model for the study of side chain/backbone interactions in proteins

Chin, W.; Mons, M.; Dognon, J. P.; Mirasol, R.; Chass, G.; Dimicoli, I.; Piuzzi, F.; Butz, P.; Tardivel, B.; Compagnon, I.; von Helden, G.; Meijer, G.

            J. Phys. Chem. A 2005, 109, 5281       Link to the journal

 

Characterization of the conformational probability of N-acetyl-phenylalanyl-NH2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data

Chass, G. A.; Mirasol, R. S.; Setiadi, D. H.; Tang, T. H.; Chin, W.; Mons, M.; Dimicoli, I.; Dognon, J. P.; Viskolcz, B.; Lovas, S.; Penke, B.; Csizmadia, I. G.

            J. Phys. Chem. A 2005, 109, 5289       Link to the journal

 

Competition between local conformational preferences and secondary structures in gas-phase model tripeptides as revealed by laser spectroscopy and theoretical chemistry

Chin, W.; Mons, M.; Dognon, J.-P.; Piuzzi, F.; Tardivel, B. and Dimicoli, I.

  Phys. Chem. Chem. Phys.  2004, 6, 2700           Link to the journal

 

Other molecules in supersonic expansions

 

Spectroscopy in supersonic expansions provides precise spectroscopic data, which enable us to improve theoretical models and molecular simulation

 

 

Rovibrational laser jet-cooled spectroscopy of SF6-rare gas complexes in the ?3 region of SF6

P. Asselin, A.C. Turner, L. Bruel, V. Brenner, M.-A. Gaveau, M. Mons

    Phys. Chem. Chem. Phys.,  2018, 20, 28105-28113    

 

Conformational landscape of the SF6 dimer as revealed by high resolution infrared spectroscopy and complexation with rare gas atoms

P. Asselin, A. Potapov, A.C. Turner, V. Boudon, L. Bruel, M.-A. Gaveau, M. Mons

    Phys. Chem. Chem. Phys.,  2017, 19, 17224-17232    

 

 

 

DNA Bases

 

There is a dual motivation for these studies:

 

·            To collect precise spectroscopic reference data  to validate the calculations carried out on these biological systems

 

·            To understand the relaxation dynamics of the excited states of DNA bases; these electronic states are indeed responsible of  DNA absorption in the UV and are potentially a doorway to irreversible damages to the genetic code of living world.

 

 

Effective Strategy for Conformer-Selective Detection of Short-Lived Excited State Species: Application to the IR Spectroscopy of the N1H Keto Tautomer of Guanine

H. Asami, M.Tokugawa, Y. Masaki,S. Ishiuchi, E. Gloaguen, K. Seio, H. Saigusa, M.Fujii, M. Sekine and M. Mons

    J. Phys. Chem. A,  2016, 120, 2179-2184    

 

Ab Initio Kinetic Simulation of Gas-Phase Experiments: Tautomerization of Cytosine and Guanine

D. Kosenkov, D, Y. Kholod, L. Gorb, O. Shishkin, D.M. Hovorun, M. Mons, J. Leszczynski

    J. Phys. Chem. B,  2009, 113, 6140-50    

 

Near-UV Resonant Two-Photon Ionization Spectroscopy of Gas Phase Guanine: Evidence for the Observation of Three Rare Tautomers

M. Mons, I. Dimicoli, F. Piuzzi, L. Gorb, J. Leszczynski,

    J. Phys. Chem. A,  2006, 110, 10921

 

 

Time-resolved photoelectron and photoion fragmentation spectroscopy study of 9-methyladenine and its hydrates: a contribution to the understanding of the ultrafast radiationless decay of excited DNA bases

C. Canuel, M. Elhanine, M. Mons, F. Piuzzi, B. Tardivel and I. Dimicoli

        Phys. Chem. Chem. Phys.  2006, 8, 3978      Link to the journal

 

Theoretical study of the ground and excited states of Guanine, 7‑methyl Guanine, and 9‑methyl Guanine: Comparison with experiment  

J. Cerny, V. Spirko, M. Mons,  P. Hobza, D. Nachtigallova

       Phys. Chem. Chem. Phys. 2006, 6 , 3059   Link to the journal

 

Excited states dynamics of DNA and RNA bases : Characterisation of a step-wise deactivation pathway in the gas phase

Canuel, C.; Mons, M.; Piuzzi, F.; Tardivel, B.; Dimicoli, I.; Elhanine, M.

     J.  Chem. Phys. 2005, 122, 074316                 Link to the journal

 

Gas phase rotamers of the nucleobase 9-methylguanine enol and its monohydrate: Optical spectroscopy and quantum mechanical calculations

Chin, W.; Mons, M.; Piuzzi, F.; Tardivel, B.; Dimicoli, I.; Gorb, L.; Leszczynski, J.

            J. Phys. Chem. A 2004, 108, 8237              Link to the journal

 

Tautomer contributions to the near UV spectrum of guanine: towards a refined picture for the spectroscopy of purine molecules

 

Chin, W.; Mons, M.; Dimicoli, I.; Piuzzi, F.; Tardivel, B.; Elhanine, M.

            Eur. Phys. J. D 2002, 20, 347                      Link to the journal

 

 

Tautomerism of the DNA base guanine and its methylated derivatives as studied by gas phase IR and UV spectroscopy

 

Mons, M.; Dimicoli, I.; Piuzzi, F.; Tardivel, B.; Elhanine, M.

            J. Phys. Chem. A 2002, 106, 5088              Link to the journal

 

 

Ultraviolet spectroscopy and tautomerism of the DNA base guanine and its hydrate formed in a supersonic jet

 

Piuzzi, F.; Mons, M.; Dimicoli, I.; Tardivel, B.; Zhao, Q.

            Chem. Phys. 2001, 270, 205                        Link to the journal

 

 

A simple laser vaporization source for thermally fragile molecules coupled to a supersonic expansion: application to the spectroscopy of tryptophan

 

Piuzzi, F.; Dimicoli, I.; Mons, M.; Tardivel, B.; Zhao, Q.

            Chem. Phys. Lett. 2000, 320, 282                 Link to the journal

 

 

 

SIGNIFICANT Publications

 

Binding energy of a water molecule to several organic functional groups 

 

Measured at the end of the 90’s using a selective photofragmentation laser technique, these binding energies are now considered as benchmark data, often cited in chemistry and biochemistry studies

 

Benzene-water :

 

 Quantum effects in the threshold photoionization and energetics of the benzene-H2O and benzene-D2O complexes: Experiment and simulation

Courty, A.; Mons, M.; Dimicoli, N.; Piuzzi, F.; Gaigeot, M. P.; Brenner, V.; de Pujo, P.; Millie, P.

            J. Phys. Chem. A 1998, 102, 6590                Link to the journal  

                                    

 

Phenol-water:

Ionization, energetics, and geometry of the phenol-S complexes   (S = H2O, CH3OH, and CH3OCH3)

 

Courty, A.; Mons, M.; Dimicoli, I.; Piuzzi, F.; Brenner, V.; Millie, P.

            J. Phys. Chem. A 1998, 102, 4890                 Link to the journal

 

Amide-water:

Energetics of the gas phase hydrates of trans-formanilide: A microscopic approach to the hydration sites of the peptide bond

Mons, M.; Dimicoli, I.; Tardivel, B.; Piuzzi, F.; Robertson, E. G.; Simons, J. P.

            J. Phys. Chem. A 2001, 105, 969              Link to the journal

 

Indole-water:

Site dependence of the binding energy of water to indole: Microscopic approach to the side chain hydration of tryptophan

Mons, M.; Dimicoli, I.; Tardivel, B.; Piuzzi, F.; Brenner, V.; Millie, P.

            J. Phys. Chem. A 1999, 103, 9958         Link to the journal

 

Energetics of a model NH-p interaction: the gas phase benzene- NH3 complex

Mons, M.; Dimicoli, I.; Tardivel, B.; Piuzzi, F.; Brenner, V.; Millie, P.

            Phys. Chem. Chem. Phys. 2002, 4, 571      Link to the journal

 

 

See also our review paper on binding energies:

 

Gas phase hydrogen-bonded complexes of aromatic molecules: photoionization and energetics

 

Mons, M.; Dimicoli, I.; Piuzzi, F.

            Int. Rev. Phys. Chem. 2002, 21, 101

Link to the journal

 

 

 

Structure of aromatic – rare gas clusters

 

Microscopic molecular solvation was a very popular subject in the beginning of the 90’s, especially with model solvents like rare gases atoms. Because of its apparent simplicity, the benzene-argon system has been a case study and a benchmark for numerous studies on aromatic molecule-rare gas systems. 

 

Microsolvation of benzene by argon atoms : spectroscopy and isomers

Schmidt, M., Mons, M.; Le Calvé, J.

             Chem . Phys. Lett. 1991, 177, 371        Link to the journal

 

 

The second conformer of the benzene-Ar2 complex

Schmidt, M., Mons, M., Le Calvé, J., Millié, P., Cossart-Magos, C.

             Chem . Phys. Lett. 1991, 183, 69             Link to the journal

 

 

Resonant two-photon ionization spectra of the external vibrational modes of the chlorobenzene-, phenol- and toluene-rare gas (Ne, Ar, Kr, Xe) van der Waals complexes

Mons, M.; Le Calvé, J. ; Piuzzi F., Dimicoli, I. 

            J.  Chem. Phys. 92 (1990) 2155                  Link to the journal

 

 

 

Molecular photofragment characterisation by laser spectroscopy

 

Our works on NO2 photodissociation are amongst the first in this field and are still now often cited in the literature, more than 15 years after publication, for both the specific NO2 excited state physics and the original photofragment detection technique used, which is sensitive to the angular correlation between velocity and angular momentum .

 

 

Photodissociation of NO2. Internal energy distribution and anisotropies in the fragments

Mons, M.; Dimicoli, I.

              Chem. Phys. 130 (1989) 307                       Link to the journal

 

 

Angular correlations between photofragment velocity and angular momentum measured by resonance enhanced multiphoton ionization detection

Mons, M.; Dimicoli, I.

              J. Chem. Phys. 90 (1989) 4037               Link to the journal

 

 

State selective kinetic distribution of photofragments

 Mons, M.; Dimicoli, I.

                 Chem. Phys. Lett. 131 (1986) 298.             Link to the journal          

 

 

POST-DOCS & PhD Students

 

             Post-docs

ˇ           Viola C. D'MELLO 2020-21

ˇ           Gildas GOLDSZTEJN 2018-19

ˇ           Venkateswara Rao MUNDLAPATI 2018-20

ˇ           WoonYong SOHN 2015-16

ˇ           Vanesa VAQUERO VARA 2014-15

ˇ           Hiroya ASAMI 2014-15

ˇ           Mohammad ALAUDDIN 2013-14

ˇ           Manuela CIRTOG 2011-12

ˇ           Himansu S. BISWAL 2009-11

ˇ           Richard J. PLOWRIGHT 2010-11

             Ph.D. Students

ˇ           Yohan LOQUAIS 2010-13

ˇ           Wutharath CHIN 2002-05

ˇ           Alexa COURTY 1994-97

ˇ           Clémence GUILLAUME 1992-95

ˇ           Martin SCHMIDT  1989-92