Academic staff

Denis JACQUEMIN

Professor
Senior Member of the IUF 2022-2027
Junior Member of the IUF 2012-2017
Département Chimie
UMR_C 6230 Chimie et Interdisciplinarité : Synthèse, Analyse, Modélisation

Contact details

CEISAM Lab, UMR CNRS 6230, Nantes University, 2, rue de la Houssinière, 44322 Nantes Cedex 3 France

Phone
0251125564 (n° interne : 455564)
Email
Denis.Jacquemin@univ-nantes.fr

Taught academic discipline(s)

General chemistry, theoretical chemistry, modeling, chemometrics, thermodynamics

Research topics

Research areas : Theoretical chemistry, quantum chemistry, theoretical spectroscopy

Research themes :

  • Optical spectra (absorption, fluorescence, phosphorescence, organic and inorganic dyes, fluorophores...)
  • Photochromism, single and coupled molecular switches.
  • Benchmarks (DFT functionals, BSE/GW and wave function approaches)
  • Reference values for excited-state energies and properties (chemical accuracy)
  • Proton transfer (DNA and ESIPT)
  • Linear and nonlinear optics (hyperpolarizabilities, two-photon absorption)

Activities / Resume

Positions:
  • 09/10-: Professor, University of Nantes (France).
  • 10/03-08/10: Research associate (FNRS), University of Namur (Belgium).
  • 09/08-08/10: Teacher, University of Namur (Belgium).
  • 10/00-09/03: Post-doctoral associate (FNRS), University of Namur (Belgium).
  • 08/00-09/00: Researcher (University), University of Namur (Belgium). Prof. J.M. André
  • 08/99-08/00: Post-doctoral researcher, QTP, University of Florida (USA). Prof. N.Y. Öhrn.
  • 10/95-09/99: Research assistant (FNRS), University of Namur (Belgium). Prof. J.M. André

Education:
  • Nov. 2009 : Habilitation, University Pierre and Marie Curie (Paris, France). Thesis: Modeling the properties of electronic excited-states in molecules
  • Dec. 1998: PhD in Chemistry, Highest honours, University of Namur (Belgium). Thesis: Developments of quantum chemistry methods for optimizing the geometry of stereo regular polymers
  • Jul. 1998 : Special Master in Chemistry and Physics, Highest honours, University of Namur (Belgium). Thesis: Theoretical study of the first hyperpolarizability of polymethineimine chains
  • Jun. 1995: Master in Chemistry, Highest honours, University of Namur (Belgium). Thesis: Developments of quantum chemistry methods for evaluating the hyperpolarizability of stereoregular polymers

Bibliometry:
  • Author of more than 680 publications in international journals
  • > 26000 citations (excl. self, Web-of-Science)
  • Facteur H=81, M=2.7, i-100=63, i-10=512 (Web-of-Science)
  • Since 2005, More than 50 articles in AIP Top 20, ACS The Most, RSC Top 10 and Elsevier Hottest Article
  • Author of many covers (Chem. Phys. Lett., Phys. Chem. Chem. Phys., J. Phys. Chem. B, Chem. Soc. Rev., Chem. Sci, Chem. Eur. J., Eur. J. Org. Chem., Chem. Comm.).
  • More bibliometric data on Web-of-Science or ou Google-Scholar

Editorial/Advisory boards :
  • ChemPhotoChem (link) since Jan 2021.
  • J. Phys. Chem. Lett. (link) from Jan 2019 to Dec 2023 (see below).
  • Molecules (link) since Apr 2018.
  • Phys. Chem. Chem. Phys. (link) since Jan 2017.
  • Dyes Pigm. (link) from Jan 2013 to Jan 2020 (see below), and since Jan 2024.
  • Int. J. Quantum Chem (link) since Jan 2009.
  • Comput. Theor. Chem. (was Theochem, link) since Jan 2008.
Editor :
  • J. Phys. Chem. Lett. (link) since Jan 2024 as senior editor.
  • Dyes Pigm. (link) from Feb 2020 to Dec 2023 as associate editor.

Additional information

Selected review articles
  • C. Adamo and D. Jacquemin*, The Calculations of Excited-State Properties with Time-Dependent Density Functional Theory, Chem. Soc. Rev., tutorial review, 42 (2013) 845-856 doi
  • A. Fihey, A. Perrier, W. R. Browne and D. Jacquemin*, Multiphotochromic Molecular Systems, Chem. Soc. Rev. 44 (2015) 3719-3759 doi
  • B. Le Guennic* and D. Jacquemin*, Taking Up the Cyanine Challenge with Quantum Tools, Acc. Chem. Res.48(2015) 530-537 doi
  • X. Blase*, I. Duchemin and D. Jacquemin*,The Bethe-Salpeter Equation in Chemistry: Relations with TD-DFT, Applications and Challenges, Chem. Soc. Rev. 47 (2018) 1022-1043 doi
  • P. F. Loos*, A. Scemama and D. Jacquemin*, The Quest For Highly Accurate Excitation Energies: A Computational Perspective, J. Phys. Chem. Lett., perspective, 11 (2020) 2374-2383 doi
  • M. Véril, A. Scemama, M. Caffarel, F. Lipparini, M.  Boggio-Pasqua, D. Jacquemin* and P. F. Loos*, QUESTDB: a Database of Highly-Accurate Excitation Energies for the Electronic Structure Community, WIREs Comp. Mol. Sc. 11 (2021) e1517 (45 p) doi
  • M. T. do Casal, K. Veys, Manon H. E. Bousquet, D. Escudero* and D. Jacquemin*, First-Principles Calculations of Excited-State Decay Rate Constants in Organic Fluorophores, J. Phys. Chem. A. 127 (2023) 10033-10053  doi
Publications 2025
  •  Y. Aidibi, S. Azar, M. Voltz, L. Hardoin, M. Voltz, S. Goeb, M. Allain, M. Salle, R. Costil, D. Jacquemin*, B. L. Feringa* and D. Canevet*, Light- and Temperature-Controlled Hybridization, Chiral Induction and Handedness of Helical Foldamers, Angew. Chem. Int. Ed. 64 (2025) e202413629 doi 
  • G. Sanil, L. Dobrzycki, M. K. Cyranski*, D. Jacquemin*, W. Chaladaj* and D. T. Gryko*, 1,4-Dihydropyrrolo[3,2-b]pyrroles with Two Embedded Heptagons via Alkyne Annulation, J. Org. Chem. 90 (2025) 614-622 doi 
  • L. Ramirez Lazaro, L. C. Sigurvinsson, N. Curtin, J. Ho, E. T. Luis, D. McAdams, T. A. Gudmundsson, J. I. Lovitt, C. S. Hawes,  D. Jacquemin , D. O'Shea, E. Scanlan, A. F. Henwood* and T. Gunnlaugsson*, Emissive Triphenylamine Functionalised 1,8-Naphthalimides and Naphthalene Diimide Fluorophores: Aggregation, Computation and Biological Studies, J. Mater. Chem. B 13 (2025) 929-942 doi 
  • V. Tarpa, J. F. Longevial, M. Giorgi, G. Canard, S. Pascal, D. Jacquemin* and O. Siri*, Transamination of Zwitterionic Quinones with Polyamines: The Carbon Bridge Matters, J. Org. Chem. 90 (2025) 1001-1005 doi 
  • L. Breloy, C. Elian, V. Alphonse, S. Lajnef, F. Peyrot, D. Jacquemin, S. Pascal, E. Devernois, T. Coradin, S. A. Andaloussi and D. L. Versace*, Terpenes, Natural Dyes and Photochemistry: Toward the Synthesis of Photoactive Bio-based Materials with Biocide Properties, RSC Appl. Polym. 3 (2025) 222-237 doi 
  • B. Dupouy, L. Cotos, A. Binder, L. Slavikova, M. Rottmann, P. Mäser, D. Jacquemin, M. Ganter, E. Davioud-Charvet and M. Elhabiri*, Click Coupling of Flavylium Dyes with Plasmodione Analogues: Towards new Redox-Sensitive Pro-fluorophores, Chem. Eur. J. 31 (2025) e202403691 (14p) doi 
  • K. Gorski, L. Pejov*, K. B. Jorgensen*, I. Knysh, D. Jacquemin* and D. T. Gryko*, Twofold 6pi-Electrocyclization as a Route Toward Multi-heteroatom-doped Nanographenes Build on 1,4-Dihydropyrrolo[3,2-b]pyrrole Core, Chem. Eur. J. 31 (2025) e202404094 (10p) doi 
  • K. Gorski, S. Shelton, J. Lingagouder, P. Data*, D. Jacquemin* and D. T. Gryko*, 1,4-Dihydropyrrolo[3,2-b]pyrrole Modified with Dibenzooxazepine: A Highly Efficient Core for Charge-Transfer-Based OLED Emitters, Chem. Sci. 16 (2025) 5223-5233 doi
  • T. Munteanu, C. Naim, G. Canard, D. Jacquemin*, O. Siri* and S. Pascal*, Small Far-Red Cationic Benzoquinone Diimine Dyes, Org. Biomol. Chem. 23 (2025) 2836-2844 doi
  • R. Sarkar, C. Naim, K. Ahmadzadeh, R. Zalesny*, D. Jacquemin*and J. M. Luis*, Simulations of Two-Photon Absorption Spectra of Fluorescent Dyes: The Impact of Non-Condon Effects, J. Chem. Theory Comput. 21 (2025) 3587-3599 doi
  • J. Sirucek, B. Le Guennic*, Y. Damour, P. F. Loos* and D. Jacquemin*, Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks, J. Chem. Theory Comput. 21 (2025) 4688-4703 doi
  • W. D. Petrykowski, N. Vanthuyne, C. Naim,  F. Bertocchi, Y. M. Poronik, A. Ciesielski, M. K. Cyranski*, F. Terenziani*,  D. Jacquemin* and D. T. Gryko*, Double Helicene Meets B-N Dative Bonds, Chem. Sci. 16 (2025) 8338-8345 doi
Updated on 20 May 2025.