Academic staff
Denis JACQUEMIN
ProfessorSenior Member of the IUF 2022-2027
Junior Member of the IUF 2012-2017
Contact details
CEISAM Lab, UMR CNRS 6230, Science and Technology Faculty, BP 92208, University of Nantes, 2, rue de la Houssinière, 44322 Nantes Cedex 3 France
- Phone
- 0251125564 (n° interne : 455564)
- 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:
Education:
Bibliometry:
Editorial/Advisory boards :
- 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 600 publications in international journals
- > 20000 citations (excl. self, Web-of-Science)
- Facteur H=72, M=2.6, i-10=418 (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 Publons or ou Google-Scholar
Editorial/Advisory boards :
- Comput. Theor. Chem. (was Theochem, link) since january 2008.
- Int. J. Quantum Chem (link) since january 2009.
- Dyes Pigm. (link) from january 2013 to january 2020.
- Phys. Chem. Chem. Phys. (link) since january 2017.
- Molecules (link) since april 2018.
- J. Phys. Chem. Lett. (link) since january 2019.
- ChemPhotoChem (link) since january 2021.
- Dyes Pigm. (link) since february 2020 as associate editor.
Additional information
Selected review articles
Theoretical contributions
- 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
Theoretical contributions
- A. Chrayteh, A. Blondel, P. F. Loos and D. Jacquemin*, A Mountaineering Strategy to Excited States: Highly-Accurate Oscillator Strengths and Dipole Moments of Small Molecules, J. Chem. Theory Comput. 17 (2021) 416-438 doi
- R. Sarkar, M. Boggio-Pasqua, P. F. Loos* and D. Jacquemin*, Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments, J. Chem. Theory Comput. 17 (2021) 1117-1132 doi
- P. F. Loos*, D. A. Matthews F. Lipparini and D. Jacquemin*, How Accurate are EOM-CC4 Vertical Excitation Energies?, J. Chem. Phys. 154 (2021) 221103 (6 p) doi
- P. F. Loos*, M. Comin, X. Blase* and D. Jacquemin*, Reference Energies for Intramolecular Charge-Transfer Excitations, J. Chem. Theory Comput. 17 (2021) 3666-3686 doi
- C. A. Guido*, A. Chrayteh, G. Scalmani, B. Mennucci* and D. Jacquemin*, Simple Protocol for Capturing both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models, J. Chem. Theory Comput. 17 (2021) 5155-5164 doi
- J. F. Longevial, Z. Chen, S. Pascal, D. Jacquemin* and Olivier Siri*, Stabilization of a 12-pi Electrons Diamino-Benzoquinonediimine Tautomer, Chem.Comm. 57 (2021) 548-551 doi
- T. Pariat, M. Munch, M. Durko, J. Mysliwiec, P. Retailleau, P. M. Verite, D. Jacquemin*, J. Massue* and G. Ulrich*, Impact of Heteroatom Substitution on Dual-State Emissive Rigidified 2-(2’-hydroxyphenyl)benzazole Dyes: Towards Ultra-Bright ESIPT Fluorophores, Chem. Eur. J. 27 (2021) 3483-3495 doi
- J. Bosson*, G. M. Labrador, C. Besnard, D. Jacquemin* and J. Lacour*, Chiral Near-Infrared Fluorophores by Self-Promoted Oxidative Coupling of Cationic Helicenes with Amines/Enamines, Angew. Chem. Int. Ed. 60 (2021) 8733-8738 doi
- A. Kumar Gupta, W. Li, A. Ruseckas, C. Lian, C. L. Carpenter-Warren, D. B. Cordes, A. M. Z. Slawin, D. Jacquemin*, I. D. W. Samuel* and Eli Zysman-Colman*, Thermally Activated Delayed Fluorescence Emitters with Intramolecular Proton Transfer for High Luminance Solution-Processed Organic Light-Emitting Diodes, ACS Appl. Mat. Inter. 13 (2021) 15459-15474 doi
- Y. Yan, A. A. Sukhanov, M. H. E. Bousquet, Q. Guan, J. Zhao*, V. K. Voronkova*, D. Escudero*, Y. Xing*, G. G. Gurzadyan* and D. Jacquemin*, Does Twisted pi-Conjugation Framework Always Induce Efficient Intersystem Crossing? A Case Study with Benzo[b]- and [a]phenanthrene-fused BODIPY Derivatives, J. Phys. Chem. B 125(2021) 6280-6295 doi
- Z. Chen, S. Pascal, M. Daurat, L. Lichon, C. Nguyen, A. Godefroy, D. Durand, L. M. A. Ali, N. Bettache, Magali Gary-Bobo*, P. Arnoux, J. F. Longevial, A. D’Aleo, G. Marchand, D. Jacquemin* and Olivier Siri*, Modified Indulines: From Dyestuffs to in vivo Theranostic Agents, ACS Appl. Mat. Inter. 13 (2021) 30337-30349 doi
- B. Osmialowski*, E. F. Petrusevich, K. C. Nawrot, B. K. Paszkiewicz, M. Nyk, J. Zielak, B. Jedrzejewska, J. M. Luis, D. Jacquemin* and R. Zalesny*, Tailoring Nonlinear Absorption of Fluorescent Dyes by Substitution at a Boron Center, J. Mater. Chem. C 9 (2021) 6225-6233 doi
- J. D. Steen, D. R. Duijnstee, A. S. Sardjan, J. Martinelli, L. Kortekaas, D. Jacquemin* and W. R. Browne*, Electrochemically Driven Ring Opening and Closing of a Spiropyran, J. Phys. Chem. A 125 (2021) 3355-3361 doi
- L. Breloy, Rana M., J. P. Malval, V. Brezova, D. Jacquemin*, S. Pascal,O. Siri* and D. L. Versace*, Azacalixphyrins as a Tremendous Alternative for the Free-Radical Photopolymerization under Visible and NIR Irradiation without the Need of Co-Initiators, Chem. Comm. 57 (2021) 8973-8976 doi
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Mis à jour le 09 May 2023.