Archive for All publications

Publication 159:

Anouar Belhboub, Florent Boucher and Denis Jacquemin, An ab initio investigation of photoswitches adsorbed onto metal oxide surfaces: the case of donor–acceptor Stenhouse adduct photochromes on TiO2 anatase, J. Mater. Chem. C, 2017, 5, 1624.  DOI: 10.1039/c6tc05297e

Publication 158:

Denis Jacquemin, Ivan Duchemin, Aymeric Blondel, and Xavier Blase, Benchmark of Bethe-Salpeter for Triplet Excited-States, J. Chem. Theory Comput. 2017, 13, 767−783, DOI: 10.1021/acs.jctc.6b01169

Publication 157:

Daniel Escudero, Ivan Duchemin, Xavier Blase, and Denis Jacquemin, Modeling the Photochrome−TiO2 Interface with Bethe−Salpeter and Time-Dependent Density Functional Theory Methods, J. Phys. Chem. Lett. 2017, 8, 936−940, DOI: 10.1021/acs.jpclett.7b00015

Publication 156:

Cloé Azarias, Ivan Duchemin, Xavier Blase, and Denis Jacquemin, Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT, J. Chem. Phys. 146, 034301, 2017. DOI: 10.1063/1.4974097

Publication 155:

Arnaud Fihey, Roberto Russo, Lorenzo Cupellini, Denis Jacquemin and Benedetta Mennucci, Is energy transfer limiting multiphotochromism? answers from ab initio quantifications, Phys.Chem.Chem.Phys., 2017, 19, 2044. DOI: 10.1039/c6cp07458h

Publication 154:

Simon Pascal, Sandrine Denis-Quanquin, Florence Appaix, Alain Duperray, Alexei Grichine, Boris Le Guennic, Denis Jacquemin, Jérôme Cuny, San-Hui Chi, Joseph W. Perry, Boudewijn van der Sanden, Cyrille Monnereau, Chantal Andraud and Olivier Maury, Keto-polymethines: a versatile class of dyes with outstanding spectroscopic properties for in cellulo and in vivo two-photon microscopy imaging, Chem. Sci., 2017, 8, 381. DOI:10.1039/c6sc02488b

Publication 153:

Johann Bosson, Geraldine M. Labrador, Simon Pascal, François-Alexandre Mianney, Oleksandr Yushchenko, Haidong Li, Laurent Bouffier, Neso Sojic, Roberto C. Tovar, Gilles Muller, Denis Jacquemin, Adèle D. Laurent, Boris Le Guennic, Eric Vauthey, and Jérôme Lacour, Physicochemical and Electronic Properties of Cationic [6]Helicenes: from Chemical and Electrochemical Stabilities to Far-Red (Polarized) Luminescence, Chem. Eur. J. 2016, 22, 18394 – 18403. DOI: 10.1002/chem.201603591

Publication 152:

Xin-Dong Jiang, Shuang Li, Boris Le Guennic, Denis Jacquemin, Daniel Escudero and Linjiu Xiaoa, Singlet oxygen generation properties of isometrically dibromated thienyl-containing
aza-BODIPYs, Phys.Chem.Chem.Phys., 2016, 18, 32686. DOI: 10.1039/c6cp05705e

Publication 151:

Fadel Bassal, Adele D. Laurent, Boris Le Guennic, Denis Jacquemin, Exploring the excited-states of squaraine dyes with TD-DFT, SOSCIS(D) and ADC(2), Dyes and Pigments, 138, 2017, 169-175. DOI: 10.1016/j.dyepig.2016.11.046

Publication 150:

David Mendive-Tapia, Luuk Kortekaas, Jorn D. Steen, Aurélie Perrier, Benjamin Lasorne, Wesley R. Browne and Denis Jacquemin, Accidental degeneracy in the spiropyran radical cation: charge transfer between two orthogonal rings inducing ultra-efficient reactivity, Phys.Chem.Chem.Phys., 2016, 18, 31244. DOI: 10.1039/c6cp06907j

Publication 149:

Dao-Bin Zhang, Jin-Yun Wang, Denis Jacquemin, and Zhong-Ning Chen, Spectroscopic and electrochemical properties of ruthenium complexes with photochromic triarylamine–dithienylethene–acetylide ligands, Inorg. Chem. Front., 2016, 3, 1432, DOI: 10.1039/c6qi00175k

Publication 148:

Diego Rota Martir, Gordon J. Hedley, David B. Cordes, Alexandra M. Z. Slawin, Daniel Escudero, Denis Jacquemin, Tamara Kosikova, Douglas Philp, Daniel M. Dawson, Sharon E. Ashbrook, Ifor D. W. Samuel and Eli Zysman-Colman, Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems, Dalton Trans., 2016, 45, 17195. DOI:10.1039/c6dt02619b

Publication 147:

Adèle D. Laurent, Edwin Otten, Boris Le Guennic, Denis Jacquemin, Formazanate boron difluoride dyes: discrepancies between TD-DFT and wavefunction descriptions, J Mol Model 2016, 22-263, DOI: 10.1007/s00894-016-3126-6

Publication 146:

Tung T. Dang, Jean-François Soulé, Henri Doucet, Mohamed Ali Benmensour, Abdou Boucekkine, Alessia Colombo, Claudia Dragonetti, Stefania Righetto, Denis Jacquemin, Julien Boixel and Véronique Guerchais, Asymmetrical 1,3-Bis(heteroazolyl)benzene Platinum Complexes with Tunable Second-Order Non-Linear Optical Properties, Eur. J. Inorg. Chem. 2016, 4774–4782, DOI: 10.1002/ejic.201600675

Publication 145:

Roberto Russo, Arnaud Fihey, Benedetta Mennucci, and Denis Jacquemin, Theoretical Quantification of the Modified Photoactivity of Photochromes Grafted on Metallic Nanoparticles, J. Phys. Chem. C 2016, 120, 21827−21836, DOI:10.1021/acs.jpcc.6b07776

Publication 144:

Daniel Escudero, Revising Intramolecular Photoinduced Electron Transfer (PET) from First-Principles, Acc. Chem. Res. 2016, 49, 1816−1824, DOI: 10.1021/acs.accounts.6b00299

Publication 143:

Xin-Dong Jiang, Jian Guan, Jiuli Zhao, Boris Le Guennic, Denis Jacquemin, Zhigang Zhang, Shangdong Chen, Linjiu Xiao, Synthesis, structure and photophysical properties of NIR aza-BODIPYs with eF/eN3/eNH2 groups at 1,7-positions, Dyes and Pigments, 2017, 136, 619–626. DOI: 10.1016/j.dyepig.2016.09.019

Publication 142:

Anouar Belhboub, Florent Boucher, and Denis Jacquemin, Grafting Spiropyran Molecular Switches on TiO2: A First-Principles Study, J. Phys. Chem. C 2016, 120, 18281−18288. DOI: 10.1021/acs.jpcc.6b06447

Publication 141:

Lei Zhang, Ludovic Favereau, Yoann Farre, Antoine Maufroy, Yann Pellegrin, Errol Blart, Muriel Hissler, Denis Jacquemin, Fabrice Odobel, and Leif Hammarström, Molecular-structure control of electron transfer dynamics of push–pull porphyrins as sensitizers for NiO based dye sensitized solar cells, RSC Adv., 2016, 6, 77184–77194, DOI: 10.1039/c6ra15195g

Publication 140:

Dmitry S. Andrianova, Yoann Farré, Kathy J. Chen, Julien Warnan, Aurelien Planchat, Denis Jacquemin, Andrei V. Cheprakova, Fabrice Odobel, Trans-disubstituted benzodiazaporphyrin: A promising hybrid dye between porphyrin and phthalocyanine for application in dye-sensitized solar cells, Journal of Photochemistry and Photobiology A: Chemistry 330, 2016, 186–194, DOI: 10.1016/j.jphotochem.2016.07.026