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Palladium-Catalyzed Direct Arylation of Luminescent Bis-Cyclometalated Iridium(III) Complexes Incorporating C^N- or O^O-Coordinating Thiophene-Based Ligands: an Efficient Method for Color Tuning.

Kassem Beydoun , Moussa Zaarour , J a Gareth Williams , Thierry Roisnel , Vincent Dorcet et al.
Inorganic Chemistry, 2013, 52 (21), pp.12416-28. ⟨10.1021/ic401208p⟩
Journal articles hal-00908613v1

Solvent Effects on Cyanine Derivatives: A PCM Investigation

Denis Jacquemin , Siwar Chibani , Boris Le Guennic , Benedetta Mennucci
Journal of Physical Chemistry B, 2014, 118 (28), pp.5343-5348. ⟨10.1021/jp504591t⟩
Journal articles hal-01088514v1

Synthesis of NIR naphthyl-containing aza-BODIPYs and measure of the singlet oxygen generation

Xin-Dong Jiang , Dongmei Xi , Boris Le Guennic , Jin Guan , Denis Jacquemin et al.
Tetrahedron, 2015, 71 (40), pp.7676--7680. ⟨10.1016/j.tet.2015.07.068⟩
Journal articles hal-01208407v1

Homochiral Emissive Lambda(8)- and Delta(8)-[Ir8Pd4](16+) Supramolecular Cages

Diego Rota Martir , Daniel Escudero , Denis Jacquemin , David B. Cordes , Alexandra M. Z. Slawin et al.
Chemistry - A European Journal, 2017, 23 (57), pp.14358-14366. ⟨10.1002/chem.201703273⟩
Journal articles hal-02141212v1

Verdict: Time-Dependent Density Functional Theory ``Not Guilty'' of Large Errors for Cyanines

Denis Jacquemin , Yan Zhao , Rosendo Valero , Carlo Adamo , Ilaria Ciofini et al.
Journal of Chemical Theory and Computation, 2012, 8 (4), pp.1255-1259. ⟨10.1021/ct200721d⟩
Journal articles hal-02142697v1

Optical Properties of Diarylethenes with TD-DFT: 0-0 Energies, Fluorescence, Stokes Shifts, and Vibronic Shapes

Agisilaos Chantzis , Javier Cerezo , Aurelie Perrier , Fabrizio Santoro , Denis Jacquemin et al.
Journal of Chemical Theory and Computation, 2014, 10 (9), pp.3944-3957. ⟨10.1021/ct500371u⟩
Journal articles hal-02142161v1

Fe( iii )-Catalyzed synthesis of pyrrolo[3,2- b ]pyrroles: formation of new dyes and photophysical studies

Mariusz Tasior , Beata Koszarna , David Young , Beata Bernard , Denis Jacquemin et al.
Organic Chemistry Frontiers, 2019, 6 (16), pp.2939-2948. ⟨10.1039/C9QO00675C⟩
Journal articles hal-03454178v1
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Benzothiadiazole substituted aza-BODIPY dyes: two-photon absorption enhancement for improved optical limiting performances in the SWIR range

Sylvain David , Hao-Jung Chang , Cesar Lopes , Carl Brännlund , Boris Le Guennic et al.
Chemistry - A European Journal, 2021, 27 (10), pp.3517-3525. ⟨10.1002/chem.202004899⟩
Journal articles hal-03102141v1

Charge-transfer in quasilinear push-pull polyene chains

Frédéric B. Anne , Florent D. Purpan , Denis Jacquemin
Chemical Physics Letters, 2013, 581, pp.52-56. ⟨10.1016/j.cplett.2013.07.021⟩
Journal articles hal-02142401v1

Bidirectional Solvatofluorochromism of a Pyrrolo[3,2-b]pyrrole-Diketopyrrolopyrrole Hybrid

Hye Gun Ryu , Maximillian F. Mayther , Jesse Tamayo , Cloe Azarias , Eli M. Espinoza et al.
Journal of Physical Chemistry C, 2018, 122 (25, SI), pp.13424-13434. ⟨10.1021/acs.jpcc.7b11194⟩
Journal articles hal-02140944v1

A luminescent [Pd4Ru8](24+) supramolecular cage

Diego Rota Martir , David B. Cordes , Alexandra M. Z. Slawin , Daniel Escudero , Denis Jacquemin et al.
Chemical Communications, 2018, 54 (47), pp.6016-6019. ⟨10.1039/c8cc02104j⟩
Journal articles hal-02140946v1

Theoretical spectroscopy of a NIR-absorbing benziphthalocyanine dye

Pauline M. Verite , Cloe Azarias , Denis Jacquemin
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (4), ⟨10.1007/s00214-018-2237-9⟩
Journal articles hal-02141005v1

Mechanism of Fluorescence Switching in One ESIPT-Based Al3+ Probe

Simon Budzak , Denis Jacquemin
Journal of Physical Chemistry B, 2016, 120 (27), pp.6730-6738. ⟨10.1021/acs.jpcb.6b04474⟩
Journal articles hal-02141556v1

Low-Lying pi pi* States of Heteroaromatic Molecules: A Challenge for Excited State Methods

Antonio Prlj , Maria Eugenia Sandoval-Salinas , David Casanova , Denis Jacquemin , Clemence Corminboeuf et al.
Journal of Chemical Theory and Computation, 2016, 12 (6), pp.2652-2660. ⟨10.1021/acs.jctc.6b00245⟩
Journal articles hal-02141559v1

Choosing a Functional for Computing Absorption and Fluorescence Band Shapes with TD-DFT

Azzam Charaf-Eddin , Aurélien Planchat , Benedetta Mennucci , Carlo Adamo , Denis Jacquemin et al.
Journal of Chemical Theory and Computation, 2013, 9 (6), pp.2749-2760. ⟨10.1021/ct4000795⟩
Journal articles hal-02142462v1
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Photoinduced electron transfer in supramolecular ruthenium-porphyrin assemblies

Diego Rota Martir , Mattia Averardi , Daniel Escudero , Denis Jacquemin , Eli Zysman-Colman et al.
Dalton Transactions, 2017, 46 (7), pp.2255-2262. ⟨10.1039/c6dt04414j⟩
Journal articles hal-02141301v1
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Designing efficient photochromic dithienylethene dyads

Arnaud Fihey , Denis Jacquemin
Chemical Science, 2015, 6 (6), pp.3495-3504. ⟨10.1039/c5sc00856e⟩
Journal articles hal-02142143v1
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BN-Substituted coronene diimide donor–acceptor–donor triads: photophysical, (spectro)-electrochemical studies and Lewis behavior

Jonas Hoffmann , Denis Jacquemin , Muriel Hissler , Anne Staubitz
Journal of Materials Chemistry C, 2021, 9 (39), pp.13926-13934. ⟨10.1039/D1TC03034E⟩
Journal articles hal-03349018v1
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Tuning ESIPT fluorophores into dual emitters

Cloé Azarias , Šimon Budzak , Adele D. Laurent , Gilles Ulrich , Denis Jacquemin et al.
Chemical Science, 2016, 7 (6), pp.3763-3774. ⟨10.1039/c5sc04826e⟩
Journal articles hal-01388995v1
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Efficient Light-Induced pK(a) Modulation Coupled to Base-Catalyzed Photochromism

Johannes Gurke , Simon Budzak , Bernd M. Schmidt , Denis Jacquemin , Stefan Hecht et al.
Angewandte Chemie International Edition, 2018, 57 (17), pp.4797-4801. ⟨10.1002/anie.201801270⟩
Journal articles hal-02140996v1
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Intriguing C-H center dot center dot center dot Cu interactions in bis-(phenanthroline)Cu(I) redox mediators for dye-sensitized solar cells

Alessia Colombo , Rachele Ossola , Mirko Magni , Dominique Roberto , Denis Jacquemin et al.
Dalton Transactions, 2018, 47 (4), pp.1018-1022. ⟨10.1039/c7dt04045h⟩
Journal articles hal-02141018v1

Diketopyrrolopyrrole derivatives for efficient NiO-based dye-sensitized solar cells

Ludovic Favereau , Julien Warnan , Yann Pellegrin , Errol Blart , Mohammed Boujtita et al.
Chemical Communications, 2013, 49 (73), pp.8018-8020. ⟨10.1039/c3cc44232b⟩
Journal articles hal-02142474v1
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The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates

Anna Grabarz , Beata Jędrzejewska , Agnieszka Skotnicka , N. Arul Murugan , Filip Patalas et al.
Dyes and Pigments, 2019, 170, pp.107481. ⟨10.1016/j.dyepig.2019.04.026⟩
Journal articles hal-03450839v1
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Use of Pyrimidine and Pyrazine Bridges as a Design Strategy To Improve the Performance of Thermally Activated Delayed Fluorescence Organic Light Emitting Diodes

Paloma Lays dos Santos , Dongyang Chen , Pachaiyappan Rajamalli , Tomas Matulaitis , David Cordes et al.
ACS Applied Materials & Interfaces, 2019, 11 (48), pp.45171-45179. ⟨10.1021/acsami.9b16952⟩
Journal articles hal-03449357v1
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Absorption and Fluorescence Signatures of 1,2,3-Triazole Based Regioisomers : Challenging Compounds for TD-DFT

Claudine Katan , Paul Savel , Bryan M. Wong , Thierry Roisnel , Vincent Dorcet et al.
Physical Chemistry Chemical Physics, 2014, 16 (19), pp.9064-9073. ⟨10.1039/C4CP00478G⟩
Journal articles hal-00983146v1

Synthesis of Bis(arylethynyl)pyrrolo[3,2- b ]pyrroles and Effect of Intramolecular Charge Transfer on Their Photophysical Behavior

Mariusz Tasior , Guillaume Clermont , Mireille Blanchard-Desce , Denis Jacquemin , Daniel Gryko et al.
Chemistry - A European Journal, 2019, 25 (2), pp.598-608. ⟨10.1002/chem.201804325⟩
Journal articles hal-03098746v1

On the photochromic properties of dithienylethenes grafted on gold clusters

Aurélie Perrier , Stéphane Tesson , Denis Jacquemin , François Maurel
Computational and Theoretical Chemistry, 2012, 990, pp.167--176. ⟨10.1016/j.comptc.2011.12.016⟩
Journal articles hal-01515656v1

A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules

Jérôme Graton , Jean-Yves Le Questel , Béatrice Legouin , Philippe Uriac , Pierre van de Weghe et al.
Chemical Physics Letters, 2012, 522, pp.11-16. ⟨10.1016/J.CPLETT.2011.11.076⟩
Journal articles istex hal-00841527v1

Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set

Denis Jacquemin , Ivan Duchemin , Xavier Blase
Journal of Chemical Theory and Computation, 2015, 11 (7), pp.3290-3304. ⟨10.1021/acs.jctc.5b00304⟩
Journal articles hal-01611291v1

Modeling excited-state intramolecular proton transfer with TD-DFT

Adele D. Laurent , Ymene Houari , Denis Jacquemin
Abstracts of Papers of the American Chemical Society, 2014, 248
Journal articles hal-01389015v1