Recherche - Archive ouverte HAL

27 résultats

	Pour les 27 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page :	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Linear and Third-Order Nonlinear Optical Properties of Fe(eta(5)-C5Me5)(kappa(2)-dppe)- and trans-Ru(kappa(2)-dppe)(2)-Alkynyl Complexes Containing 2-Fluorenyl End Groups Amédée Triadon , Guillaume Grelaud , Nicolas Richy , Olivier Mongin , Graeme J. Moxey , et al. Organometallics, 2018, 37 (14), pp.2245-2262. ⟨10.1021/acs.organomet.8b00229⟩ Article dans une revue hal-01861417v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic Structure and Geometry of the Lowest 2LMCT State of Fe(III) Potential Fluorescent Emitters Tabea Huss , Isabelle M Dixon Inorganic Chemistry, 2023, 62 (10), pp.4284-4290. ⟨10.1021/acs.inorgchem.2c04407⟩ Article dans une revue hal-04028149v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unravelling the Mechanism of Excited State Interligand Energy Transfer and the Engineering of Dual-Emission in [Ir(C^N) 2 (N^N)] + Complexes Paul A Scattergood , Anna M Ranieri , Luke Charalambou , Adrian Comia , Daniel a W Ross , et al. Inorganic Chemistry, 2020, 59, pp.1785 - 1803. ⟨10.1021/acs.inorgchem.9b03003⟩ Article dans une revue hal-02483005v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical illumination of highly original photoreactive 3MC states and the mechanism of the photochemistry of Ru(II) tris(bidentate) complexes Isabelle M. Dixon , Jean-Louis Heully , Fabienne Alary , Elliott I.P. Paul Physical Chemistry Chemical Physics, 2017, 19 (40), pp.27765-27778. ⟨10.1039/C7CP05532C⟩ Article dans une revue hal-01622130v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations Adrien Soupart , Isabelle M. Dixon , Fabienne Alary , Jean-Louis Heully Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (37), 11 p. ⟨10.1007/s00214-018-2216-1⟩ Article dans une revue hal-01741478v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Merging Grubbs second-generation catalyst with photocatalysis enables Z-selective metathesis of olefins: scope, limitations, and mechanism Saïf Eddine Chérif , Avisek Ghosh , Saloua Chelli , Isabelle M Dixon , Jamil Kraiem , et al. Chemical Science, 2022, 13, pp.12065 - 12070. ⟨10.1039/d2sc03961c⟩ Article dans une revue hal-03838058v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photoinduced Ligand Exchange Dynamics of a Polypyridyl Ruthenium Complex in Aqueous Solution Isabelle M. Dixon , Sylvestre Bonnet , Fabienne Alary , Jérôme Cuny Journal of Physical Chemistry Letters, 2021, 12 (30), pp.7278-7284. ⟨10.1021/acs.jpclett.1c01424⟩ Article dans une revue hal-03342731v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core? Emilie Lebon Tailhades , Stéphanie Bastin , Pierre Sutra , Laure Vendier , Rémi E. Piau , et al. Chemical Communications, 2012, 48 (5), pp.741-3. ⟨10.1039/c1cc15737j⟩ Article dans une revue hal-00832349v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The (N4C2)2- Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds Isabelle M. Dixon , Fabienne Alary , Martial Boggio-Pasqua , Jean-Louis Heully Inorganic Chemistry, 2013, 52 (23), pp.13369-13374. ⟨10.1021/ic402453p⟩ Article dans une revue hal-00913203v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory Adrien J. Göttle , Fabienne Alary , Isabelle M. Dixon , Jean-Louis Heully , Martial Boggio-Pasqua Inorganic Chemistry, 2014, 53 (13), pp.6752-6760. ⟨10.1021/ic500546q⟩ Article dans une revue hal-01010285v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reversing the relative 3MLCT–3MC order in Fe(II) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe(II) complexes Isabelle M. Dixon , Fabienne Alary , Martial Boggio-Pasqua , Jean-Louis Heully Dalton Transactions, 2015, 44 (30), pp.13498-13503. ⟨10.1039/C5DT01214G⟩ Article dans une revue hal-01192652v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the spin-state dependence of redox potentials of spin crossover complexes Isabelle M. Dixon , Sylvain Rat , Alix Sournia-Saquet , Gábor Molnár , Lionel Salmon , et al. Inorganic Chemistry, 2020, 59 (24), pp.18402-18406. ⟨10.1021/acs.inorgchem.0c03043⟩ Article dans une revue hal-03102204v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study Adrien J. Göttle , Fabienne Alary , Martial Boggio-Pasqua , Isabelle M. Dixon , Jean-Louis Heully , et al. Inorganic Chemistry, 2016, 55 (9), pp.4448-4456. ⟨10.1021/acs.inorgchem.6b00268⟩ Article dans une revue hal-01327047v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Electronic peculiarities of the excited states of [RuN5C]+ vs. [RuN6]2+ polypyridine complexes: insight from theory. Isabelle M. Dixon , Fabienne Alary , Jean-Louis Heully Dalton Transactions, 2010, 39 (45), pp.10959-66. ⟨10.1039/c0dt00563k⟩ Article dans une revue istex hal-00832884v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry Adrien Soupart , Fabienne Alary , Jean-Louis Heully , Elliott I.P. Paul , Isabelle M. Dixon Inorganic Chemistry, 2018, 57, 6, pp.3192-3196. ⟨10.1021/acs.inorgchem.7b03229⟩ Article dans une revue hal-01741450v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods Adrien Soupart , Fabienne Alary , Jean-Louis Heully , Isabelle M. Dixon Inorganics, 2020, 8 (2), pp.15. ⟨10.3390/inorganics8020015⟩ Article dans une revue hal-02490295v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study Francesco Talotta , Jean-Louis Heully , Fabienne Alary , Isabelle M. Dixon , Leticia González , et al. Journal of Chemical Theory and Computation, 2017, 13 (12), pp.6120-6130. ⟨10.1021/acs.jctc.7b00982⟩ Article dans une revue hal-01684087v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes? Juan Sanz Garcia , Fabienne Alary , Martial Boggio-Pasqua , Isabelle M. Dixon , Jean-Louis Heully Journal of Molecular Modeling, 2016, 22 (11), pp.284. ⟨10.1007/s00894-016-3138-2⟩ Article dans une revue hal-01396525v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Not All ³MC States Are the Same: The Role of ³MC_cis States in the Photochemical N∧N Ligand Release from [Ru(bpy)₂(N∧N)]²⁺ Complexes Katie Eastham , Paul A Scattergood , Danny Chu , Rayhaan Z Boota , Adrien Soupart , et al. Inorganic Chemistry, 2022, 61 (49), pp.19907-19924. ⟨10.1021/acs.inorgchem.2c03146⟩ Article dans une revue hal-03940877v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical study of the full photosolvolysis mechanism of [Ru(bpy)3]2+ : providing a general mechanistic road map for the photochemistry of [Ru(N^N)3]2+-type complexes towards both cis and trans photoproducts Adrien Soupart , Fabienne Alary , Jean-Louis Heully , Paul I P Elliott , Isabelle M. Dixon Inorganic Chemistry, 2020, 59 (20), pp.14679 - 14695. ⟨10.1021/acs.inorgchem.0c01843⟩ Article dans une revue hal-02971214v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations. Adrien J. Göttle , Isabelle M. Dixon , Fabienne Alary , Jean-Louis Heully , Martial Boggio-Pasqua Journal of the American Chemical Society, 2011, 133 (24), pp.9172-4. ⟨10.1021/ja201625b⟩ Article dans une revue hal-00832898v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT Isabelle M. Dixon , Shehryar Khan , Fabienne Alary , Martial Boggio-Pasqua , Jean-Louis Heully Dalton Transactions, 2014, 43 (42), pp.15898-15905. ⟨10.1039/c4dt01939c⟩ Article dans une revue hal-01081297v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Bridging the gap: making the link in mechanically interlocked chiral molecules. Isabelle M. Dixon , Gwénaël Rapenne Angewandte Chemie International Edition, 2010, 49 (47), pp.8792-4. ⟨10.1002/anie.201003298⟩ Article dans une revue istex hal-00832874v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes Isabelle M. Dixon , Gauthier Boissard , Hannah Whyte , Fabienne Alary , Jean-Louis Heully Inorganic Chemistry, 2016, 55 (11), pp.5089-5091. ⟨10.1021/acs.inorgchem.6b00223⟩ Article dans une revue hal-01331155v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4]2+ by DFT and TDDFT Juan Sanz Garcia , Fabienne Alary , Martial Boggio-Pasqua , Isabelle M. Dixon , Isabelle Malfant , et al. Inorganic Chemistry, 2015, 54 (17), pp.8310-8318. ⟨10.1021/acs.inorgchem.5b00998⟩ Article dans une revue hal-01213836v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes Juan Sanz Garcia , Francesco Talotta , Fabienne Alary , Isabelle M. Dixon , Jean-Louis Heully , et al. Molecules, 2017, 22 (10), pp.1667. ⟨10.3390/molecules22101667⟩ Article dans une revue hal-01666592v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states Adrien Soupart , Fabienne Alary , Jean-Louis Heully , Paul I Elliott , Isabelle M. Dixon Coordination Chemistry Reviews, 2020, 408, pp.213184. ⟨10.1016/j.ccr.2020.213184⟩ Article dans une revue hal-02534402v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Linear and Third-Order Nonlinear Optical Properties of Fe(eta(5)-C5Me5)(kappa(2)-dppe)- and trans-Ru(kappa(2)-dppe)(2)-Alkynyl Complexes Containing 2-Fluorenyl End Groups

Electronic Structure and Geometry of the Lowest 2LMCT State of Fe(III) Potential Fluorescent Emitters

Unravelling the Mechanism of Excited State Interligand Energy Transfer and the Engineering of Dual-Emission in [Ir(C^N) 2 (N^N)] + Complexes

Theoretical illumination of highly original photoreactive 3MC states and the mechanism of the photochemistry of Ru(II) tris(bidentate) complexes

DFT rationalization of the room-temperature luminescence properties of Ru(bpy) 3 2+ and Ru(tpy) 2 2+ : 3MLCT–3MC minimum energy path from NEB calculations and emission spectra from VRES calculations

Merging Grubbs second-generation catalyst with photocatalysis enables Z-selective metathesis of olefins: scope, limitations, and mechanism

Photoinduced Ligand Exchange Dynamics of a Polypyridyl Ruthenium Complex in Aqueous Solution

Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core?

The (N4C2)2- Donor Set as Promising Motif for Bis(tridentate) Iron(II) Photoactive Compounds

Unravelling the S → O Linkage Photoisomerization Mechanisms in cis- and trans-[Ru(bpy)2(DMSO)2]2+ Using Density Functional Theory

Reversing the relative 3MLCT–3MC order in Fe(II) complexes using cyclometallating ligands: a computational study aiming at luminescent Fe(II) complexes

On the spin-state dependence of redox potentials of spin crossover complexes

Pivotal Role of a Pentacoordinate 3MC State on the Photocleavage Efficiency of a Thioether Ligand in Ruthenium(II) Complexes: A Theoretical Mechanistic Study

Electronic peculiarities of the excited states of [RuN5C]+ vs. [RuN6]2+ polypyridine complexes: insight from theory.

Exploration of Uncharted 3PES Territory for [Ru(bpy)3]2+: A New 3MC Minimum Prone to Ligand Loss Photochemistry

On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods

Linkage Photoisomerization Mechanism in a Photochromic Ruthenium Nitrosyl Complex: New Insights from an MS-CASPT2 Study

Is photoisomerization required for NO photorelease in ruthenium nitrosyl complexes?

Not All 3MC States Are the Same: The Role of 3MCcis States in the Photochemical N∧N Ligand Release from [Ru(bpy)2(N∧N)]2+ Complexes

Theoretical study of the full photosolvolysis mechanism of [Ru(bpy)3]2+ : providing a general mechanistic road map for the photochemistry of [Ru(N^N)3]2+-type complexes towards both cis and trans photoproducts

Adiabatic versus nonadiabatic photoisomerization in photochromic ruthenium sulfoxide complexes: a mechanistic picture from density functional theory calculations.

Probing the photophysical capability of mono and bis(cyclometallated) Fe(II) polypyridine complexes using inexpensive ground state DFT

Bridging the gap: making the link in mechanically interlocked chiral molecules.

Computational Estimate of the Photophysical Capabilities of Four Series of Organometallic Iron(II) Complexes

Establishing the Two-Photon Linkage Isomerization Mechanism in the Nitrosyl Complex trans-[RuCl(NO)(py)4]2+ by DFT and TDDFT

A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes

Recent progress in ligand photorelease reaction mechanisms: Theoretical insights focusing on Ru(II) 3MC states

Not All ³MC States Are the Same: The Role of ³MC_cis States in the Photochemical N∧N Ligand Release from [Ru(bpy)₂(N∧N)]²⁺ Complexes