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Assessing Combinations of B(C6F5)3 and N2-Derived Molybdenum Nitrido Complexes for Heterolytic Bond Activation
Anaïs Coffinet
,
David Specklin
,
Quentin Le Dé
,
Soukaina Bennaamane
,
Luna Muñoz
Article dans une revue
hal-04007916v1
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Chirogenesis in Zinc Porphyrins: Theoretical Evaluation of Electronic Transitions, Controlling Structural Factors and Axial Ligation
Irina Osadchuk
,
Riina Aav
,
Victor Borovkov
,
Eric Clot
Article dans une revue
hal-03608689v1
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Supramolecular Chirogenesis in Bis-Porphyrin: Crystallographic Structure and CD Spectra for a Complex with a Chiral Guanidine Derivative
Irina Osadchuk
,
Nele Konrad
,
Khai-Nghi Truong
,
Kari Rissanen
,
Eric Clot
Article dans une revue
hal-03190913v1
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|
Impact of the Alkali Metal on the Structural and Dynamic Properties of the Anionic Pentahydride Ruthenium Complexes [M(THF) x ][RuH 5 (PCy 3 ) 2 ] (M = Li, Na, K)
Ramaraj Ayyappan
,
Koushik Saha
,
Mary Grellier
,
Eric Clot
,
Laure Vendier
Article dans une revue
hal-03357901v1
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Benchmarking computational methods and influence of guest conformation on chirogenesis in zinc porphyrin complexes
Irina Osadchuk
,
Victor Borovkov
,
Riina Aav
,
Eric Clot
Article dans une revue
hal-02617464v1
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Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates
Jian Yang
,
Verònica Postils
,
Michael Lipschutz
,
Meg Fasulo
,
Christophe Raynaud
Article dans une revue
hal-02617107v1
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Stepwise Functionalization of N 2 at Mo: Nitrido to Imido to Amido - Factors Favoring Amine Elimination from the Amido Complex
Soukaina Bennaamane
,
Maria F Espada
,
Ikram Yagoub
,
Nathalie Saffon‐merceron
,
Noel Nebra
Article dans une revue
hal-03012876v1
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Regiospecificity in Ligand-Free Pd-Catalyzed C–H Arylation of Indoles: LiHMDS as Base and Transient Directing Group
Yorck Mohr
,
Marc Renom-Carrasco
,
Clément Demarcy
,
Elsje Alessandra Quadrelli
,
Clément Camp
Article dans une revue
hal-02493979v1
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Supramolecular chirogenesis in zinc porphyrins: Complexation with enantiopure thiourea derivatives, binding studies and chirality transfer mechanism
Nele Konrad
,
Darya Meniailava
,
Irina Osadchuk
,
Jasper Adamson
,
Mohammed Hasan
Article dans une revue
hal-02617498v1
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|
A Career in Catalysis: Odile Eisenstein
David Balcells
,
Eric Clot
,
Stuart Macgregor
,
Feliu Maseras
,
Lionel Perrin
Article dans une revue
hal-03006418v1
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Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums
Yujia Liu
,
Julien Berges
,
Yassir Zaid
,
Fouad Ouazzani Chahdi
,
Arie van Der Lee
Article dans une revue
hal-02076372v1
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Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends
Lukas Merz
,
Hubert Wadepohl
,
Eric Clot
,
Lutz Gade
Article dans une revue
hal-01818339v1
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Ta-Catalyzed Hydroaminoalkylation of Alkenes: Insights into Ligand-Modified Reactivity Using DFT
Damon Gilmour
,
Jean Michel P. Lauzon
,
Eric Clot
,
Laurel Schafer
Article dans une revue
hal-01966073v1
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Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study
Duo Wei
,
Omar Sadek
,
Vincent Dorcet
,
Thierry Roisnel
,
Christophe Darcel
Article dans une revue
hal-01871104v1
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Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives
Francesco Foschi
,
Torsten Roth
,
Markus Enders
,
Hubert Wadepohl
,
Eric Clot
Article dans une revue
hal-01718895v1
|
|
Domino Pd 0 -Catalyzed C(sp3)-H Arylation/Electrocyclic Reactions via Benzazetidine Intermediates
Ronan Rocaboy
,
David Dailler
,
Florian Zellweger
,
Markus Neuburger
,
Christophe Salomé
Article dans une revue
hal-01874239v1
|
|
Room-Temperature Functionalization of N2 to Borylamine at a Molybdenum Complex
Maria Espada
,
Soukaina Bennaamane
,
Qian Liao
,
Nathalie Saffon-Merceron
,
Stephane Massou
Article dans une revue
hal-01882704v1
|
|
Mild Decarboxylative C−H Alkylation: Computational Insights for Solvent-Robust Ruthenium(II) Domino Manifold
N. Y. Phani Kumar
,
Torben Rogge
,
Santhivardhana Reddy Yetra
,
Alexander Bechtoldt
,
Eric Clot
Article dans une revue
hal-01661618v1
|
|
A mechanochemical approach to access the proline–proline diketopiperazine framework
Nicolas Pétry
,
Hafid Benakki
,
Eric Clot
,
Pascal Retailleau
,
Farhate Guenoun
Article dans une revue
hal-01619861v1
|
|
Hydrogenation of Carbonyl Derivatives with a Well-Defined Rhenium Precatalyst
Duo Wei
,
Thierry Roisnel
,
Christophe Darcel
,
Eric Clot
,
Jean-Baptiste Sortais
Article dans une revue
hal-01435008v1
|
|
Reactions of Titanium Imides and Hydrazides with Boranes
Simona Mellino
,
Laura C. Stevenson
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-01585569v1
|
|
N-Heterocyclic Carbene Iron Silyl Hydride Complexes
S. Quintero-Duque
,
H. Li
,
L.C. Misal Castro
,
V. Dorcet
,
T. Roisnel
Article dans une revue
hal-01713508v1
|
|
New Scandium Borylimido Chemistry: Synthesis, Bonding, and
Reactivity
Benjamin A. Clough
,
Simona Mellino
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-01583862v1
|
|
New Titanium Borylimido Compounds: Synthesis, Structure, and
Bonding
Benjamin A. Clough
,
Simona Mellino
,
Andrey V. Protchenko
,
Martin Slusarczyk
,
Laura C. Stevenson
Article dans une revue
hal-01583859v1
|
|
Deciphering Selectivity in Organic Reactions: A Multifaceted Problem
David Balcells
,
Eric Clot
,
Odile Eisenstein
,
Ainara Nova
,
Lionel Perrin
Article dans une revue
hal-01316472v1
|
|
η6-Arene-Zirconium-PNP-Pincer Complexes: Mechanism of Their Hydrogenolytic Formation and Their Reactivity as Zirconium(II) Synthons
Gudrun T. Plundrich
,
Hubert Wadepohl
,
Eric Clot
,
Lutz H. Gade
Article dans une revue
hal-01338976v1
|
|
Reactions of Titanium Hydrazides with Silanes and Boranes: N–N Bond Cleavage and N Atom Functionalization
Laura C Stevenson
,
Simona Mellino
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-01185849v1
|
|
A Highly Effective Ruthenium System for the Catalyzed Dehydrogenative Cyclization of Amine–Boranes to Cyclic Boranes under Mild Conditions
Christopher J. Wallis
,
Gilles Alcaraz
,
Alban S. Petit
,
Amalia I. Poblador-Bahamonde
,
Eric Clot
Article dans une revue
hal-01188456v1
|
|
Controlling the Selectivity of C−H Activation in Pyridinium Triazolylidene Iridium Complexes: Mechanistic Details and Influence of Remote Substituents
Kate F. Donnelly
,
Ralte Lalrempuia
,
Helge Müller-Bunz
,
Eric Clot
,
Martin Albrecht
Article dans une revue
hal-01138729v1
|
|
Efficient PdO-catalyzed asymmetric activation of primary and secondary C-H bonds enabled by modular binepine ligands and carbonate bases.
Philipp M. Holstein
,
Maria Vogler
,
Paolo Larini
,
Guillaume Pilet
,
Eric Clot
Article dans une revue
hal-01412734v1
|
|
Azaphilic versus Carbophilic Coupling at C=N Bonds: Key Steps in Titanium-Assisted Multicomponent Reactions
Torsten Roth
,
Hubert Wadepohl
,
Eric Clot
,
Lutz H. Gade
Article dans une revue
hal-01241045v1
|
|
Mechanistic Study of the Selectivity of Olefin versus Cyclobutene Formation by Palladium(0)-Catalyzed Intramolecular C(sp3)–H Activation
Christos E. Kefalidis
,
Michaël Davi
,
Philipp M. Holstein
,
Eric Clot
,
Olivier Baudoin
Article dans une revue
hal-01098139v1
|
|
B–C Bond Cleavage and Ru–C Bond Formation from a Phosphinoborane: Synthesis of a Bis-σ Borane Aryl-Ruthenium Complex
Audrey Cassen
,
Laure Vendier
,
Jean-Claude Daran
,
Amalia Poblador-Bahamonde
,
Eric Clot
Article dans une revue
hal-01098138v1
|
|
B-H, C-H, and B-C Bond Activation: The Role of Two Adjacent Agostic Interactions
Audrey Cassen
,
Yann Gloaguen
,
Laure Vendier
,
Carine Guyard-Duhayon
,
Amalia Poblador-Bahamonde
Article dans une revue
hal-01053546v1
|
|
Linear-Selective Hydroarylation of Unactivated Terminal and Internal Olefins with Trifluoromethyl-Substituted Arenes
Joseph S. Bair
,
York Schramm
,
Alexey G. Sergeev
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-01067932v1
|
|
Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B-H) Coordination Mode
Yann Gloaguen
,
Gaëtan Bénac-Lestrille
,
Laure Vendier
,
Ulrike Helmstedt
,
Eric Clot
Article dans une revue
hal-00859736v1
|
|
Synthesis, Bonding and Reactivity of a Terminal Titanium Alkylidene Hydrazido Compound
Pei-Jen Tiong
,
Laura R. Groom
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00801630v1
|
|
Ligand-controlled β-selective C(sp3)-H arylation of N-Boc-piperidines
Anthony Millet
,
Paolo Larini
,
Eric Clot
,
Olivier Baudoin
Article dans une revue
hal-00807150v1
|
|
Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titanium tert-Butoxyimido Compound
Laura R. Groom
,
Andrew Schwarz
,
Ainara Nova
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00922814v1
|
|
Synthesis of a ruthenium bis(diisopropylamino(isocyano)borane) complex from the activation of an amino(cyano)borane
Maximilian Joost
,
Gilles Alcaraz
,
Laure Vendier
,
Amalia Poblador-Bahamonde
,
Eric Clot
Article dans une revue
hal-00764430v1
|
|
On the mechanism of the palladium-catalyzed β-arylation of ester enolates.
Paolo Larini
,
Christos E. Kefalidis
,
Rodolphe Jazzar
,
Alice Renaudat
,
Eric Clot
Article dans une revue
hal-00691404v1
|
|
Hydride Ligands Make the Difference: Density Functional Study of the Mechanism of the Murai Reaction Catalyzed by [Ru(H)2(H2)2(PR3)2] (R=cyclohexyl)
Ulrike Helmstedt
,
Eric Clot
Article dans une revue
hal-00725864v1
|
|
Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H+ reagents: Ti[double bond, length as m-dash]Nα 1,2-silane addition, Nβ alkylation, Nα protonation and σ-bond metathesis
Pei-Jen Tiong
,
Ainara Nova
,
Andrew Schwarz
,
Jonathan D. Selby
,
Eric Clot
Article dans une revue
hal-00668164v1
|
|
Si–H and Si–Cl bond activation reactions of titanium hydrazides with silanes and subsequent Ti–H/E–H (E = Si or H) σ-bond metathesis
Pei-Jen Tiong
,
Ainara Nova-Flores
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00575214v1
|
|
Reaction site diversity in the reactions of titanium hydrazides with organic nitriles, isonitriles and isocyanates: Ti=Nα cycloaddition, Ti=Nα insertion and Nα-Nβ bond cleavage
A. Daniel Schofield
,
Ainara Nova-Flores
,
Jonathan D. Selby
,
Andrew D. Schwarz
,
Eric Clot
Article dans une revue
hal-00552889v1
|
|
Ruthenium agostic (phosphinoaryl)borane complexes: multinuclear solid-state and solution NMR, X-ray and DFT studies
Yann Gloaguen
,
Gilles Alcaraz
,
Alban Petit
,
Eric Clot
,
Yannick Coppel
Article dans une revue
hal-00637828v1
|
|
Dimethylaminoborane (H2BNMe2) coordination to late transition metal centers: snapshots of the B-H oxidative addition process
Gaëtan Bénac-Lestrille
,
Ulrike Helmstedt
,
Laure Vendier
,
Gilles Alcaraz
,
Eric Clot
Article dans une revue
hal-00637829v1
|
|
Reactions of Cyclopentadienyl-Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti=Nα Cycloaddition, Cycloaddition-Insertion, and Cycloaddition-NNR2 Group Transfer Reactions
Pei-Jen Tiong
,
Ainara Nova-Flores
,
Laura R. Groom
,
Andrew D. Schwarz
,
Jonathan D. Selby
Article dans une revue
hal-00575216v1
|
|
Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands
Andrew D. Schwarz
,
Ainara Nova-Flores
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00586606v1
|
|
Titanium tert-Butoxyimido Compounds
Andrew Schwarz
,
Ainara Nova
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00646018v1
|
|
New Sandwich and Half-Sandwich Titanium Hydrazido Compounds
Jonathan D. Selby
,
Marta Feliz
,
Andrew D. Schwarz
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00586609v1
|
|
C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales
Eric Clot
,
Odile Eisenstein
,
Naseralla Jasim
,
Stuart A Macgregor
,
John E. Macgrady
Article dans une revue
hal-00593720v1
|
|
Mechanistic investigation of vinylic carbon–fluorine bond activation of perfluorinated cycloalkenes using Cp*2ZrH2 and Cp*2ZrHF
Bradley M. Kraft
,
Eric Clot
,
Odile Eisenstein
,
William W. Brennessel
,
William D. Jones
Article dans une revue
hal-00531501v1
|
|
M═Nα Cycloaddition and Nα−Nβ Insertion in the Reactions of Titanium Hydrazido Compounds with Alkynes: A Combined Experimental and Computational Study
A. Daniel Schofield
,
Ainara Nova-Flores
,
Jonathan D. Selby
,
Catherine D. Manley
,
Andrew D. Schwarz
Article dans une revue
hal-00506947v1
|
|
Synthesis, structure, and reductive elimination in the series Tp′Rh(PR3)(ArF)H; Determination of rhodium–carbon bond energies of fluoroaryl substituents
Taro Tanabe
,
William W. Brennessel
,
Eric Clot
,
Odile Eisenstein
,
William D. Jones
Article dans une revue
hal-00530408v1
|
|
Importance of palladium–carbon bond energies in direct arylation of polyfluorinated benzenes
Julie Guihaume
,
Eric Clot
,
Odile Eisenstein
,
Robin N. Perutz
Article dans une revue
hal-00530410v1
|
|
C-H bond activation in transition metal species from a computational perspective
David Balcells
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00455818v1
|
|
Palladium-catalyzed β arylation of carboxylic esters.
Alice Renaudat
,
Ludivine Jean-Gérard
,
Rodolphe Jazzar
,
Christos E. Kefalidis
,
Eric Clot
Article dans une revue
hal-00691422v1
|
|
Single and double substrate insertion into the Ti=Nα bonds of terminal titanium hydrazides
Pei-Jen Tiong
,
A. Daniel Schofield
,
Jonathan D. Selby
,
Ainara Nova
,
Eric Clot
Article dans une revue
hal-00440776v1
|
|
Ruthenium bis(σ-B-H) aminoborane complexes from dehydrogenation of amine-boranes: trapping of H2B-NH2
Gilles Alcaraz
,
Laure Vendier
,
Eric Clot
,
Sylviane Sabo-Etienne
Article dans une revue
hal-00449215v1
|
|
Ruthenium, Rhodium, and Iridium Bis(σ-B−H) Diisopropylaminoborane Complexes†
Gilles Alcaraz
,
Adrian B. Chaplin
,
Charlotte J. Stevens
,
Eric Clot
,
Laure Vendier
Article dans une revue
hal-00531506v1
|
|
Intramolecular palladium-catalyzed alkane C-H arylation from aryl chlorides.
Sophie Rousseaux
,
Michaël Davi
,
Julien Sofack-Kreutzer
,
Cathleen Pierre
,
Christos E. Kefalidis
Article dans une revue
hal-00691425v1
|
|
DFT study of the mechanism of benzocyclobutene formation by palladium-catalysed C(sp3)-H activation: role of the nature of the base and the phosphine.
Christos E. Kefalidis
,
Olivier Baudoin
,
Eric Clot
Article dans une revue
hal-00691421v1
|
|
Diels–Alder reaction of vinylene carbonate and 2,5-dimethylfuran: kinetic vs. thermodynamic control
Céline Taffin
,
Glenda Kreutler
,
Damien Bourgeois
,
Eric Clot
,
Christian Perigaud
Article dans une revue
hal-00461208v1
|
|
Energetics of C-H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [Tp'Rh(CNneopentyl)] Complex
Meagan E. Evans
,
Catherine L. Burke
,
Sornanong Yaibuathes
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00417808v1
|
|
Synthesis and structure of "16-electron" rhodium(III) catalysts for transfer hydrogenation of a cyclic imine: mechanistic implications
A. John Blacker
,
Eric Clot
,
Simon B. Duckett
,
Odile Eisenstein
,
Jake Grace
Article dans une revue
hal-00429572v1
|
|
Self-aggregation tendency of all species involved in the catalytic cycle of bifunctional transfer hydrogenation
Gianluca Ciancaleoni
,
Cristiano Zuccaccia
,
Daniele Zuccaccia
,
Eric Clot
,
Alceo Macchioni
Article dans une revue
hal-00361659v1
|
|
Ion-Pairing in Organometallic Chemistry: Structure and Influence on Proton Transfer from a Computational Perspective
Eric Clot
Article dans une revue
hal-00382219v1
|
|
Exceptional Sensitivity of Metal-Aryl Bond Energies to ortho-Fluorine Substituents: Influence of the Metal, the Coordination Sphere, and the Spectator Ligands on M-C/H-C Bond Energy Correlations.
Eric Clot
,
Claire Mégret
,
Odile Eisenstein
,
Robin N. Perutz
Article dans une revue
hal-00391067v1
|
|
Reactions of cyclopentadienyl-amidinate titanium imido compounds with CO2: cycloaddition-extrusion vs. cycloaddition-insertion
Aldo E. Guiducci
,
Catherine L. Boyd
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00382217v1
|
|
Phosphinoborane and sulfidoborohydride as chelating ligands in polyhydride ruthenium complexes: agostic σ-borane versus dihydroborate coordination
Yann Gloaguen
,
Gilles Alcaraz
,
Anne-Frédérique Pécharman
,
Eric Clot
,
Laure Vendier
Article dans une revue
hal-00371725v1
|
|
A terminal borylene ruthenium complex: from B-H activation to reversible hydrogen release
Gilles Alcaraz
,
Ulrike Helmstedt
,
Eric Clot
,
Laure Vendier
,
Sylviane Sabo-Etienne
Article dans une revue
hal-00321855v1
|
|
A NMR, X-ray, and DFT combined study on the regio-chemistry of nucleophilic addition to platinium(II) coordinated terminal olefins
Carmen R. Barone
,
Renzo Cini
,
Eric Clot
,
Odile Eisenstein
,
Luciana Maresca
Article dans une revue
hal-00308918v1
|
|
β-H transfer from the metallacyclobutane: a key step in the deactivation and byproduct formation for the well-defined silica-supported rhenium alkylidene alkene metathesis catalyst
Anne-Marie Leduc
,
Alain Salameh
,
Daravong Soulivong
,
Mathieu Chabanas
,
Jean-Marie Basset
Article dans une revue
hal-00277664v1
|
|
Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of Ti=NNPh2 with PhCCMe, PhCCH, MeCN and tBuCP
Jonathan D. Selby
,
Christian Schulten
,
Andrew D. Schwarz
,
Andreas Stasch
,
Eric Clot
Article dans une revue
hal-00321857v1
|
|
Syntheses, Reactivity and DFT Studies of Group 2 and Group 12 Metal Complexes of Tris(pyrazolyl)methanides Featuring "Free" Pyramidal Carbanions
Helen R. Bigmore
,
Jens Meyer
,
Ivo Krummenacher
,
Heinz Rüegger
,
Eric Clot
Article dans une revue
hal-00308915v1
|
|
A weak donor, planar chelating bitriazole N-heterocyclic carbene ligand for ruthenium(II), palladium(II), and rhodium
Macarena Poyatos
,
William Mcnamara
,
Chris Incarvito
,
Eric Clot
,
Eduardo Peris
Article dans une revue
hal-00276099v1
|
|
Stereochemical nonrigidity of a chiral rhodium boryl hydride complex: a σ-borane complexe as transition state for isomerization.
Marius V. Campian
,
Eric Clot
,
Odile Eisenstein
,
Ulrike Helmstedt
,
Naseralla Jasim
Article dans une revue
hal-00267313v1
|
|
Synthesis, DFT Studies, and Reactions of Scandium and Yttrium Dialkyl Cations Containing Neutral fac-N3 and fac-S3 Donor Ligands
Cara S. Tredget
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00308912v1
|
|
Ti=NR vs. Ti-R' functional group selectivity in imido titanium alkyl cations from a DFT perspective
Marta Feliz
,
Paul Bolton
,
Philip Mountford
,
Eric Clot
Article dans une revue
hal-00321859v1
|
|
Synthesis of benzocyclobutenes by palladium-catalyzed C-H activation of methyl groups: method and mechanistic study
Manon Chaumontet
,
Riccardo Piccardi
,
Nicolas Audic
,
Julien Hitce
,
Jean-Louis Peglion
Article dans une revue
hal-00321861v1
|
|
Mechanism of Homogeneous Iridium-Catalyzed Alkylation of Amines with Alcohols from a DFT Study
David Balcells
,
Ainara Nova
,
Eric Clot
,
Dinakar Gnanamgari
,
Robert H. Crabtree
Article dans une revue
hal-00284001v1
|
|
Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations
Frédéric Blanc
,
Jean-Marie Basset
,
Christophe Copéret
,
Amritanshu Sinha
,
Zachary J. Tonzetich
Article dans une revue
hal-00276844v1
|
|
Titanium hydrazides supported by diamide-amine and related ligands: a combined experimental and DFT study
Jonathan D. Selby
,
Catherine D. Manley
,
Andrew D. Schwarz
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00321856v1
|
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Ti=NR vs. Ti-R' functional group selectivity in imido titanium alkyl cations from an experimental perspective
Paul Bolton
,
Marta Feliz
,
Andrew R. Cowley
,
Eric Clot
,
Philip Mountford
Article dans une revue
hal-00321860v1
|
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Aliphatic versus Aromatic C-H Activation in the Formation of Abnormal Carbenes with Iridium: A Combined Experimental and Theoretical Study
Monica Viciano
,
Marta Feliz
,
Rosa Corberan
,
Jose A. Mata
,
Eric Clot
Article dans une revue
hal-00175178v1
|
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Imidazolium Carboxylates as Versatile and Selective N-Heterocyclic Carbene Transfer Agents: Synthesis, Mechanism, and Applications
Adelina M. Voutchkova
,
Marta Feliz
,
Eric Clot
,
Odile Eisenstein
,
Robert H. Crabtree
Article dans une revue
hal-00175629v1
|
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Computational structure–activity relationships in H2 storage: how placement of N atoms affects release temperatures in organic liquid storage materials
Eric Clot
,
Odile Eisenstein
,
Robert H. Crabtree
Article dans une revue
hal-00166201v1
|
|
Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation between theory and experiment
Eric Clot
,
Odile Eisenstein
,
William D. Jones
Proceedings of the National Academy of Sciences of the United States of America, 2007, 104 (17), pp.6939-6944. ⟨10.1073/pnas.0609454104⟩
Article dans une revue
hal-00143621v1
|
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Mesitylborane as a Bis σ-B-H Ligand: An Unprecedented Bonding Mode to a Metal Center
Gilles Alcaraz
,
Eric Clot
,
Ulrike Helmstedt
,
Laure Vendier
,
Sylviane Sabo-Etienne
Article dans une revue
hal-00166205v1
|
|
Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes
Andrew Toner
,
Jochen Matthes
,
Stephan Gründemann
,
Hans-Heinrich Limbach
,
Bruno Chaudret
Proceedings of the National Academy of Sciences of the United States of America, 2007, 104 (17), pp.6945-6950. ⟨10.1073/pnas.0608979104⟩
Article dans une revue
hal-00143626v1
|
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Interionic Structure of Ion Pairs and Ion Quadruples of Half-Sandwich Ruthenium(II) Salts Bearing -Diimine Ligands
Daniele Zuccaccia
,
Gianfranco Bellachioma
,
Giuseppe Cardaci
,
Gianluca Ciancaleoni
,
Cristiano Zuccaccia
Article dans une revue
hal-00166212v1
|
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New ligand platforms for developing the chemistry of the Ti=N–NR2 functional group and the insertion of alkynes into the N–N bond of a Ti=N–NPh2 ligand
Jonathan D. Selby
,
Catherine D. Manley
,
Marta Feliz
,
Andrew D. Schwarz
,
Eric Clot
Article dans une revue
hal-00174438v1
|
|
Understanding d0-Olefin Metathesis Catalysts: Which Metal, Which Ligands?
Albert Poater
,
Xavier Solans-Monfort
,
Eric Clot
,
Christophe Copéret
,
Odile Eisenstein
Article dans une revue
hal-00178673v1
|
|
Carbonyl(...)carbonyl interactions in first-row transition metal complexes
Hazel A. Sparkes
,
Paul R. Raithby
,
Eric Clot
,
Gregory P. Shields
,
James A. Chisholm
Article dans une revue
hal-00362456v1
|
|
AlMe3 and ZnMe2 adducts of a titanium imido methyl cation: A combined crystallographic, spectroscopic, and DFT study
Paul D. Bolton
,
Eric Clot
,
Andrew R. Cowley
,
Philip Mountford
Article dans une revue
hal-00362453v1
|
|
Experimental and DFT studies of cationic imido titanium alkyls: Agostic interactions and C-H bond and solvent activation reactions of isolobal analogues of group 4 metallocenium cations
Paul D. Bolton
,
Eric Clot
,
Nico Adams
,
Stuart R. Dubberley
,
Andrew R. Cowley
Article dans une revue
hal-00362463v1
|
|
Synthesis and ethylene polymerization capability of metallocene-like imido titanium dialkyl compounds and their reactions with AliBu3
Paul D. Bolton
,
Nico Adams
,
Eric Clot
,
Andrew R. Cowley
,
Paul J. Wilson
Article dans une revue
hal-00362455v1
|
|
Validation of the M-C/H-C bond enthalpy relationship through application of density functional theory
Eric Clot
,
Claire Mégret
,
Odile Eisenstein
,
Robin N. Perutz
Article dans une revue
hal-00362457v1
|
|
DFT calculations of d0 M(NR)(CHtBu)(X)(Y) (M = Mo, W; R = CPh3, 2,6-iPr-C6H3; X and Y=CH2tBu, OtBu, OSi(OtBu)3) olefin metathesis catalysts: structural, spectroscopic and electronic properties
Albert Poater
,
Xavier Solans-Monfort
,
Eric Clot
,
Christophe Copéret
,
Odile Eisenstein
Article dans une revue
hal-00362460v1
|
|
Selectivity in C-Cl Bond Activation of Dichloroarenes by the Photogenerated Cp*Re(CO)2 Fragment: Combined Experimental and DFT Studies
A. Aballay
,
E. Clot
,
O. Eisenstein
,
M. T. Garland
,
F. Godoy
New Journal of Chemistry, 2005, 29, pp.226
Article dans une revue
hal-00020404v1
|
|
Reactions of Neutral and Cationic Diamide-Supported Imido Complexes with CO2 and Other Heterocumulenes: Issues of Site Selectivity
B. D. Ward
,
G. Orde
,
E. Clot
,
A. R. Cowley
,
L. H. Gade
Organometallics, 2005, 24, pp.2368
Article dans une revue
hal-00020394v1
|
|
d0 Re-based olefin metathesis catalysts, Re(≡CR)(=CHR)(X)(Y): the key role of X and Y ligands for efficient active sites
X. Solans-Monfort
,
E. Clot
,
C. Copéret
,
O. Eisenstein
Journal of the American Chemical Society, 2005, 127, pp.14015
Article dans une revue
hal-00020388v1
|
|
Structure and reactivity of trans-bis[2-(2-chloroethyl)pyridine]palladium chloride (1). A study on the elimination reaction with 1 and 2-(2-chloroethyl)pyridine induced by quinuclidine in acetonitrile"
S. Alunni
,
G. Bellachioma
,
E. Clot
,
T. del Giacco
,
L. Ottavi
Journal of Organometallic Chemistry, 2005, 70, pp.10688
Article dans une revue
hal-00020383v1
|
|
Understanding Structural and Dynamic Properties of Well-Defined Re-Based Olefin Metathesis Catalysts, Re(≡CR)(=CHR)(X)(Y) from DFT and QM/MM Calculations
X. Solans-Monfort
,
E. Clot
,
C. Copéret
,
O. Eisenstein
Organometallics, 2005, 24, pp.1586
Article dans une revue
hal-00020396v1
|
|
Well-defined imidotitanium alkyl cations: agostic interactions, migratory insertion vs. [2+2] cycloaddition, and the first structurally authenticated AlMe3 adduct of any transition metal alkyl cation
P. Bolton
,
E. Clot
,
A. R. Cowley
,
P. Mountford
Chemical Communications, 2005, 3313, pp.3313
Article dans une revue
hal-00020390v1
|
|
Aggregation in Solution of Neutral Half-sandwich Ru(II) Precatalysts for Transfer Hydrogenation
D. Zuccaccia
,
E. Clot
,
A. Macchioni
New Journal of Chemistry, 2005, 29, pp.430
Article dans une revue
hal-00020402v1
|
|
An anion-dependent switch in selectivity results from a change of C-H activation mechanism in the reaction of an imidazolium salt with IrH5(PPh3)2
L. N. Appelhans
,
D. Zuccaccia
,
A. Kovacevic
,
A. Chianese
,
J. Miecznikowski
Journal of the American Chemical Society, 2005, 127, pp.16299
Article dans une revue
hal-00020386v1
|
|
Pendant Arm Functionalized Benzamidinate Titanium Imido Compounds: Experimental and Computational Studies of their Reactions with CO2
C. L. Boyd
,
E. Clot
,
A. E. Guiducci
,
P. Mountford
Organometallics, 2005, 24, pp.2347
Article dans une revue
hal-00020398v1
|
|
Is the allylpalladium structure altered between solid and solutions?
Eric Clot
,
Odile Eisenstein
,
Tsu-Chien Weng
,
James Penner-Hahn
,
Kenneth G. Caulton
Article dans une revue
hal-00429078v1
|
|
Synthesis, reactivity, and computational studies of the cationic tungsten methyl complex [W(NPh)(N2Npy)Me]+ and related compounds (N2Npy = MeC(2-C5H4N)(CH2(NSiMe3)2)
Benjamin D. Ward
,
Gavin Orde
,
Eric Clot
,
Andrew R. Cowley
,
Lutz H. Gade
Article dans une revue
hal-00429075v1
|
|
Double geminal C-H activation and reversible α-elimination in 2-aminopyridine iridium(III) complexes: The role of hydrides and solvent in flattening the free energy surface
Eric Clot
,
Junyi Chen
,
Dong-Heon Lee
,
So Young Sung
,
Leah N. Appelhans
Article dans une revue
hal-00429085v1
|
|
Defluorination of perfluoropropene using Cp*2ZrH2 and Cp*2ZrHF: A mechanism investigation from a joint experimental-theoretical perspective
Eric Clot
,
Claire Mégret
,
Bradley M. Kraft
,
Odile Eisenstein
,
William D. Jones
Article dans une revue
hal-00429087v1
|
|
Agostic interactions from a computational perspective: One name, many interpretations
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429065v1
|
|
Ortho-metalated ruthenium hydrido dihydrogen complexes: Dynamics, exchange couplings, and reactivity
Jochen Matthes
,
Stephan Gründemann
,
Andrew Toner
,
Yannick Guari
,
Bruno Donnadieu
Article dans une revue
hal-00429089v1
|
|
Ion pairing effects in intramolecular heterolytic H2 activation in an Ir(III) complex: a combined theoretical/experimental study
Karine Gruet
,
Eric Clot
,
Odile Eisenstein
,
Dong-Heon Lee
,
Ben Patel
Article dans une revue
hal-00429096v1
|
|
Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents
Eric Clot
,
Maria Besora
,
Feliu Maseras
,
Claire Mégret
,
Odile Eisenstein
Article dans une revue
hal-00429095v1
|
|
cis-trans isomerisation of CpRe(CO)2(H)(Ar-F) (Ar-F = C6FnH5-n; n=0-5) is the rate determining step in C-H activation of fluoroarenes: a DFT study
Eric Clot
,
Beatriz Oelckers
,
Hugo A. Klahn
,
Odile Eisenstein
,
Robin N. Perutz
Article dans une revue
hal-00429090v1
|
|
PGSE and NOE NMR evidence for higher order aggregation in some cationic ruthenium complexes in both protic and aprotic solvents
Daniele Zuccaccia
,
Stefano Sabatini
,
Gianfranco Bellachioma
,
Giuseppe Cardaci
,
Eric Clot
Article dans une revue
hal-00429091v1
|
|
Biscarbene-Ruthenium Complexes in Catalysis: Novel Stereoselective Synthesis of (1E,3E)-1,4-Disubstituted-1,3-dienes via Head-to-Head Coupling of Terminal Alkynes and Addition of Carboxylic Acids
Jacques Le Paih
,
Florian Monnier
,
Sylvie Derien
,
Pierre H. Dixneuf
,
Eric Clot
Article dans une revue
hal-00164020v1
|
|
Outer sphere anion participation can modify the mechanism for conformer interconversion in Pd pincer complexes
John R. Miecznikowski
,
Stephan Gründemann
,
Martin Albrecht
,
Claire Mégret
,
Eric Clot
Article dans une revue
hal-00429094v1
|
|
Counter-ion effects switch ligand binding from C-2 to C-5 in kinetic carbenes formed from an imidazolium salt and IrH5(PPh3)2
A. Kovacevic
,
Stephan Gründemann
,
John R. Miecznikowski
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429098v1
|
|
Interplay of weak interactions: An iridium(III) system with an agostic tert-butyl but a nonagostic isopropyl group
Eric Clot
,
Odile Eisenstein
,
Tiffany Dube
,
Jack W. Faller
,
Robert H. Crabtree
Article dans une revue
hal-00429099v1
|
|
Synthesis and reactivity of the imidotungsten methyl cation [W(N2Npy)(NPh)Me]+: CO2 adds to the W=NPh bond and does not insert into the W-Me bond
Benjamin D. Ward
,
Eric Clot
,
Stuart R. Dubberley
,
Lutz H. Gade
,
Philip Mountford
Article dans une revue
hal-00429097v1
|
|
How hydrogen bonding affects ligand binding and fluxionality in transition metal complexes: a DFT study on interligand hydrogen bonds involving HF and H2O
Eric Clot
,
Odile Eisenstein
,
Robert H. Crabtree
Article dans une revue
hal-00429105v1
|
|
Computed ligand electronic parameters, from quantum chemistry and their relation to Tolman parameters, Lever parameters, and Hammett constants
Lionel Perrin
,
Eric Clot
,
Odile Eisenstein
,
Jennifer Loch
,
Robert H. Crabtree
Article dans une revue
hal-00429103v1
|
|
Selective ion pairing in [Ir(bipy)H2(PRPh2)2]A (A = PF6, BF4, CF3SO3, BPh4, R = Me, ph): Experimental identification and theoretical understanding
Alceo Macchioni
,
Cristiano Zuccaccia
,
Eric Clot
,
Karine Gruet
,
Robert H. Crabtree
Article dans une revue
hal-00429104v1
|
|
Fate of CH2=CHE (E = H, OMe) in the presence of unsaturated Ru(X)(H)L2q+ (X = Cl, q=0; X = CO, q=1): Highly sensitive to X and E
Hélène Gérard
,
Eric Clot
,
Claude Giessner-Prettre
,
Kenneth G. Caulton
,
Ernest R. Davidson
Article dans une revue
hal-00429108v1
|
|
Coordinated carbenes from electron-rich olefins on RuHCl(PiPr3)2
J. N. Coalter
,
Jean-Claude Bollinger
,
J. C. Huffman
,
U. Werner-Zwanziger
,
Kenneth G. Caulton
Article dans une revue
hal-00429110v1
|
|
Transition metal polyhydrides: From qualitative ideas to reliable computational studies
Feliu Maseras
,
Agusti Lledós
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429109v1
|
|
Ruthenium assisted reversible proton transfer from an aromatic carbon to a hydride
Andrew Toner
,
Stephan Gründemann
,
Eric Clot
,
Hans-Heinrich Limbach
,
Bruno Donnadieu
Article dans une revue
hal-00429107v1
|
|
18-electron Os(X)(CHR)(Cl)(CO)L2 (X = H, Cl): not octahedral and metastable?
Hélène Gérard
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429114v1
|
|
Proton transfer in aminocyclopentadienyl ruthenium hydride complexes
José A. Ayllon
,
Stephen F. Sayers
,
Sylviane Sabo-Etienne
,
Bruno Donnadieu
,
Bruno Chaudret
Article dans une revue
hal-00429112v1
|
|
Heterolytic dihydrogen activation in an iridium complex with a pendant basic group
Dong-Heon Lee
,
Ben Patel
,
Eric Clot
,
Odile Eisenstein
,
Robert H. Crabtree
Article dans une revue
hal-00429116v1
|
|
Computational and experimental test of steric influence on agostic interactions: A homologous series for Ir(III)
Alan C. Cooper
,
Eric Clot
,
John C. Huffman
,
William E. Streib
,
Feliu Maseras
Article dans une revue
hal-00429117v1
|
|
From inelastic neutron scattering to structural information. A two-dimensional parametrized model to study metal-(H2) interaction
Eric Clot
,
Juergen Eckert
Article dans une revue
hal-00429113v1
|
|
Conformational preferences of bis(acetonitrile)tetrachloro molybdenum(IV) and tungsten(IV). Crystal structure of WCl4(CH3CN)2 and DFT calculations
Alain Manteghetti
,
Claude Belin
,
Monique Tillard-Charbonnel
,
Jean-Louis Pascal
,
Eric Clot
New Journal of Chemistry, 1999, 23, pp.165-171
Article dans une revue
hal-00429115v1
|
|
L‘ = CO vs Cl- Transposition: Remarkable Consequences for the Product of (L‘)−Ru(L)2-(H) and Vinyl Ether
Dejian Huang
,
Hélène Gérard
,
Eric Clot
,
Victor Young Jr.
,
William E. Streib
Article dans une revue
hal-00429111v1
|
|
Influence of ancillary ligands on the kinetics and the thermodynamics of H2 addition to IrXH2(PR3)2 (X = Cl, Br, I and R = H, Me): Comparison between density functional theory and perturbation theory
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429121v1
|
|
Inertness of the aryl-F bond toward oxidative addition to osmium and rhodium complexes: Thermodynamic or kinetic origin?
Ramon Bosque
,
Eric Clot
,
Simona Fantacci
,
Feliu Maseras
,
Odile Eisenstein
Article dans une revue
hal-00429118v1
|
|
Isomeric hydrido/vinylidene, MH(halide)(C=CH2)L2, and ethylidyne, M(halide)(C-CH3)L2 (M = Os, Ru; L equals phosphine), are energetically similar but not interconverting
Montserrat Oliván
,
Eric Clot
,
Kenneth G. Caulton
,
Odile Eisenstein
Article dans une revue
hal-00429122v1
|
|
Carbene complexes from olefins, using RuHCl((PiPr3)2. Influence of the olefin substituent
J. N. Coalter
,
Greg. J. Spivak
,
Hélène Gérard
,
Eric Clot
,
Ernest R. Davidson
Article dans une revue
hal-00429119v1
|
|
Hydride is not a spectator ligand in the formation of hydrido vinylidene from terminal alkyne and ruthenium and osmium hydrides: Mechanistic differences
Montserrat Oliván
,
Eric Clot
,
Odile Eisenstein
,
Kenneth G. Caulton
Article dans une revue
hal-00429120v1
|
|
Quantum exchange coupling: A hypersensitive indicator of weak interactions
Roger Kuhlman
,
Eric Clot
,
Claude Leforestier
,
William E. Streib
,
Odile Eisenstein
Article dans une revue
hal-00429123v1
|
|
Dynamics on an ab-initio surface for calculating J(HH) NMR exchange coupling: the case of OsH3X(PH3)2
Eric Clot
,
Claude Leforestier
,
Odile Eisenstein
,
Michel Pélissier
Article dans une revue
hal-00429124v1
|
|
An extremely low barrier to rotation of dihydrogen in the iridium complex IrClH2(η2-H2)(PiPr3)2
Juergen Eckert
,
Craig M. Jensen
,
Ginger Jones
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429125v1
|
|
REACTION OF H2 WITH IRHCL2P2 (P = PIPR3 OR PtBU2PH) - STEREOELECTRONIC CONTROL OF THE STABILITY OF MOLECULAR H2 TRANSITION-METAL COMPLEXES
Alberto Albinati
,
Vladimir I. Bakhmutov
,
Kenneth G. Caulton
,
Eric Clot
,
Juergen Eckert
Article dans une revue
hal-00429126v1
|
|
STRUCTURAL VARIANTS OF TETRANUCLEAR L4CU4X4 - INFLUENCE OF L ON THE COORDINATION MODE OF COPPER(I)
Michael Haakansson
,
Susan Jagner
,
Eric Clot
,
Odile Eisenstein
Article dans une revue
hal-00429129v1
|