Michel MONS

Senior Researcher at CEA

(Commissariat à l Energie Atomique ; Saclay)

Leader of the Group Lights and Molecules

Laboratoire Interactions, DYnamiques and Lasers

DRF/IRAMIS/LIDYL : UMR CEA-CNRS-Université Paris-Sud 9222


+33 1 6908 2001 (office) - 5834 – 3605 (labs)


+33 1 6908 8707








Recent publications

     DNA bases


Significant     publications

PhD & PostDocs


Last update

Oct 2021









































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Other molecules

DNA Bases

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                            IN GAS PHASE PHYSICAL CHEMISTRY



·          ISOLATED MOLECULES: photoexcitation, photoionisation

·          MOLECULAR CLUSTERS : structure and dynamics

   And recently

      with my collegues of the group BioMolecular Structures :



·          Conformations of flexible molecules...


        and underlying interactions






 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 (ANR-funded Project "LASIHMODo", standing for "LASer Studies of Isolated and Hydrated peptides for an improved MODelling of proteins" ; 2009-2013; Coord. M. Mons ; Part. A. Zehnacker à Orsay & J.P. Piquemal à Paris VI) , 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 (InterLabEx Project 2012-13 "LaLiFold"; LAser LIght on FOLDamers 2013-2014 and most recently the ANR-funded project "TUNIFOLD-S", for "Tuning foldable building blocks using sulfur", 2017-2020, coord. M. Mons (Saclay), Partners D.J. Aitken(ICMMO-Orsay) et A. Zehnacker (ISMO-Orsay)

·          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 (LabEx PALM-funded Project "DIRCOS" for "IR Diagnostic IR for a COnformation-Selective femtochemistry",2013-15, and ANR-funded Project "ESBODyR" for 'Excited States of BiO-relevant systems: towards ultrafast DYnamics with conformational Resolution"; 2014-2017; Coord. V. Brenner (Saclay); Partners: N. Ben Amor (LCPQ, Toulouse) and A. Zehnacker (ISMO, Orsay) )





Supersonic expansion coupled to laser desorption

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

Time-of-flight mass spectrometry




Quantum Chemistry: Ground and excited states

Force fields



Curriculum Vitae


       Researcher for the Commissariat à l’Energie Atomique

             (CEA; French Agency for Atomic Energy) since 1988 

       Leader of the group “BioMolecular Structures” at the LFP


·          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          A. Zehnacker, K. LeBarbu ; Univ. Paris-Sud & CNRS, F

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

ˇ          M.A. Suhm , Göttingen, D

ˇ          N. Doslic , I. Ljubic , Institute Rudger Boskovic, Zagreb, Croatia

ˇ          A. M. Rijs , Nijmegen, NL

ˇ          P. Asselin MONARIS, Sorbonne Universit, Paris, F

ˇ          C. Jouvet, Aix-Marseille & CNRS, F

ˇ          H.S Biswal , NISER, Buhbaneshwar, India

ˇ          M. Fujii, Tokyo Institute of Technology, Tokyo, Japan


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.

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  ;

  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  ;

  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.

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  




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



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



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



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