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Lista de obras de Eric Clot

18-Electron Os(X)(CHR)(Cl)(CO)L2 (X=H, Cl): not octahedral and metastable?

A Highly Effective Ruthenium System for the Catalyzed Dehydrogenative Cyclization of Amine-Boranes to Cyclic Boranes under Mild Conditions.

artículo científico publicado en 2015

A NMR, X-ray, and DFT combined study on the regio-chemistry of nucleophilic addition to platinum(II) coordinated terminal olefins

article

A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium

A mechanochemical approach to access the proline-proline diketopiperazine framework

artículo científico publicado en 2017

A terminal borylene ruthenium complex: from B-H activation to reversible hydrogen release.

artículo científico publicado en 2008

Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums

artículo científico publicado en 2019

Agostic Interactions from a Computational Perspective: One Name, Many Interpretations

Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes.

artículo científico publicado en 2007

AlMe3and ZnMe2Adducts of a Titanium Imido Methyl Cation: A Combined Crystallographic, Spectroscopic, and DFT Study

artículo científico publicado en 2006

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.

artículo científico publicado en 2005

An extremely low barrier to rotation of dihydrogen in the iridium complex IrClH2(.eta.2-H2)(PiPr3)2

scholarly article by Juergen Eckert et al published November 1993 in Journal of the American Chemical Society

Azaphilic versus Carbophilic Coupling at C=N Bonds: Key Steps in Titanium-Assisted Multicomponent Reactions.

artículo científico publicado en 2015

Benchmarking computational methods and influence of guest conformation on chirogenesis in zinc porphyrin complexes

scientific article published on 05 May 2020

Beta-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

artículo científico publicado en 2008

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

artículo científico publicado en 2003

Bond energy M–C/H–C correlations: dual theoretical and experimental approach to the sensitivity of M–C bond strength to substituentsElectronic supplementary information (ESI) available: methods of calculation; Fig. S1: Comparison of calculated

scientific article published on 01 February 2003

BH, CH, and BC Bond Activation: The Role of Two Adjacent Agostic Interactions

artículo científico publicado en 2014

C-H bond activation in transition metal species from a computational perspective

artículo científico publicado en 2010

Carbene Complexes from Olefins, Using RuHCl(PiPr3)2. Influence of the Olefin Substituent

scientific article published in 1998

Carbonyl⋯carbonyl interactions in first-row transition metal complexes

Computational and Experimental Test of Steric Influence on Agostic Interactions: A Homologous Series for Ir(III)

article

Computational structure–activity relationships in H2storage: how placement of N atoms affects release temperatures in organic liquid storage materials

article

Computed Ligand Electronic Parameters from Quantum Chemistry and Their Relation to Tolman Parameters, Lever Parameters, and Hammett Constants

article

Coordinated carbenes from electron-rich olefins on RuHCl(PPr3i)2

article

Counter-ion effects switch ligand binding from C-2 to C-5 in kinetic carbenes formed from an imidazolium salt and IrH5(PPh3)2

article

Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of TiNNPh2 with PhCCMe, PhCCH, MeCN and tBuCP

artículo científico publicado en 2008

C−F and C−H Bond Activation of Fluorobenzenes and Fluoropyridines at Transition Metal Centers: How Fluorine Tips the Scales

article

DFT calculations of d0M(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

scientific article published on 30 May 2006

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

artículo científico publicado en 2010

Deciphering Selectivity in Organic Reactions: A Multifaceted Problem.

artículo científico publicado en 2016

Defluorination of perfluoropropene using Cp*2ZrH2 and Cp2ZrHF: a mechanism investigation from a joint experimental-theoretical perspective

artículo científico publicado en 2004

Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends

artículo científico publicado en 2018

Dimethylaminoborane (H2BNMe2) coordination to late transition metal centers: snapshots of the B-H oxidative addition process

artículo científico publicado en 2011

Domino Pd0 -Catalyzed C(sp3 )-H Arylation/Electrocyclic Reactions via Benzazetidine Intermediates

artículo científico publicado en 2018

Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations

artículo científico publicado en 2008

Dynamics on an ab Initio Surface for Calculating JHH NMR Exchange Coupling. The Case of OsH3X(PH3)2

article published in 1995

Energetics of C−H Bond Activation of Fluorinated Aromatic Hydrocarbons Using a [Tp′Rh(CNneopentyl)] Complex

article

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.

artículo científico publicado en 2009

Fate of CH2CHE (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

article published in 2000

Heterolytic dihydrogen activation in an iridium complex with a pendant basic group

article

How hydrogen bonding affects ligand binding and fluxionality in transition metal complexes: a DFT study on interligand hydrogen bonds involving HF and H2O

article

Hydride Is Not a Spectator Ligand in the Formation of Hydrido Vinylidene from Terminal Alkyne and Ruthenium and Osmium Hydrides: Mechanistic Differences

scholarly article by Montserrat Oliván et al published July 1998 in Organometallics

Imidazolium carboxylates as versatile and selective N-heterocyclic carbene transfer agents: synthesis, mechanism, and applications

artículo científico publicado en 2007

Importance of palladium-carbon bond energies in direct arylation of polyfluorinated benzenes

artículo científico publicado en 2010

Inertness of the Aryl−F Bond toward Oxidative Addition to Osmium and Rhodium Complexes: Thermodynamic or Kinetic Origin?

article

Influence of Ancillary Ligands on the Kinetics and the Thermodynamics of H2Addition to IrXH2(PR3)2(X = Cl, Br, I and R = H, Me): Comparison between Density Functional Theory and Perturbation Theory

article

Interplay of Weak Interactions: An Iridium(III) System with an Agostictert-Butyl but a Nonagostic Isopropyl Group

article

Intramolecular palladium-catalyzed alkane C-H arylation from aryl chlorides

artículo científico publicado en 2010

Ion pairing effects in intramolecular heterolytic H2 activation in an Ir(iii) complex: a combined theoretical/experimental study

article

Is the allylpalladium structure altered between solid and solutions?

artículo científico publicado en 2004

Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives

artículo científico publicado en 2018

Isomeric Hydrido/Vinylidene, MH(halide)(CCH2)L2, and Ethylidyne, M(halide)(C−CH3)L2(M = Os, Ru; L = Phosphine), Are Energetically Similar but Not Interconverting

Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes

artículo científico publicado en 2014

L‘ = CO vs Cl-Transposition: Remarkable Consequences for the Product of (L‘)−Ru(L)2−(H) and Vinyl Ether

M=N(alpha) cycloaddition and N(alpha)-N(beta) insertion in the reactions of titanium hydrazido compounds with alkynes: a combined experimental and computational study

artículo científico publicado en 2010

Mechanism of Homogeneous Iridium-Catalyzed Alkylation of Amines with Alcohols from a DFT Study

article

Mechanistic Study of the Selectivity of Olefin versus Cyclobutene Formation by Palladium(0)-Catalyzed Intramolecular C(sp3)–H Activation

artículo científico publicado en 2014

Mechanistic investigation of vinylic carbon–fluorine bond activation of perfluorinated cycloalkenes using Cp*2ZrH2 and Cp*2ZrHF

article

Mesitylborane as a Bis(σ-B−H) Ligand: An Unprecedented Bonding Mode to a Metal Center

artículo científico publicado en 2007

Mild Decarboxylative C-H Alkylation: Computational Insights for Solvent-Robust Ruthenium(II) Domino Manifold.

artículo científico publicado en 2017

New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.

artículo científico publicado en 2017

New Titanium Borylimido Compounds: Synthesis, Structure, and Bonding.

artículo científico publicado en 2017

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

artículo científico publicado en 2007

On the Mechanism of the Palladium-Catalyzed β-Arylation of Ester Enolates

artículo científico publicado en 2012

Outer sphere anion participation can modify the mechanism for conformer interconversion in Pd pincer complexes

article

PGSE and NOE NMR evidence for higher order aggregation in some cationic ruthenium complexes in both protic and aprotic solvents.

artículo científico publicado en 2003

Palladium-catalyzed β arylation of carboxylic esters.

artículo científico publicado en 2010

Phosphinoborane and Sulfidoborohydride as Chelating Ligands in Polyhydride Ruthenium Complexes: Agostic σ-Borane versus Dihydroborate Coordination

artículo científico publicado en 2009

Quantum Exchange Coupling: A Hypersensitive Indicator of Weak Interactions

article

Reaction of molecular hydrogen (H2) with chlorohydridoiridium phosphines IrHCl2P2 (P = PPr-iso3 or PBu-tert2Ph): stereoelectronic control of the stability of molecular H2 transition metal complexes

artículo científico publicado en 1993

Reaction site diversity in the reactions of titanium hydrazides with organic nitriles, isonitriles and isocyanates: Ti=N(α) cycloaddition, Ti=N(α) insertion and N(α) -N(β) bond cleavage.

artículo científico publicado en 2010

Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization.

artículo científico publicado en 2015

Reactions of cyclopentadienyl-amidinate titanium imido compounds with CO2: cycloaddition-extrusion vs. cycloaddition-insertion.

artículo científico publicado en 2009

Room-Temperature Functionalization of N2 to Borylamine at a Molybdenum Complex

artículo científico publicado en 2018

Ruthenium Agostic (Phosphinoaryl)borane Complexes: Multinuclear Solid-State and Solution NMR, X-ray, and DFT Studies

scientific article published on 10 October 2011

Ruthenium Bis(σ-BH) Aminoborane Complexes from Dehydrogenation of Amine-Boranes: Trapping of H2BNH2

scientific article published on 01 January 2010

Selectivity in C–Cl bond activation of dichloroarenes by photogenerated Cp*Re(CO)2: combined experimental and DFT studies

artículo científico publicado en 2005

Single and double substrate insertion into the TiNαbonds of terminal titanium hydrazides

scientific article published on 19 November 2009

Site selectivity and reversibility in the reactions of titanium hydrazides with Si–H, Si–X, C–X and H+ reagents: TiNα 1,2-silane addition, Nβ alkylation, Nα protonation and σ-bond metathesis

artículo científico publicado en 2012

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

artículo científico publicado en 2011

Small molecule activation

artículo científico publicado en 2016

Stereochemical nonrigidity of a chiral rhodium boryl hydride complex: a sigma-borane complex as transition state for isomerization

artículo científico publicado en 2008

Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation between theory and experiment

artículo científico publicado en 2007

Structure and reactivity of trans-bis[2-(2-chloroethyl)pyridine]palladium chloride (1). A study on the elimination reaction of 1 and 2-(2-chloroethyl)pyridine induced by quinuclidine in acetonitrile.

artículo científico publicado en 2005

Supramolecular Chirogenesis in Bis-Porphyrin: Crystallographic Structure and CD Spectra for a Complex with a Chiral Guanidine Derivative

Synergy between experiment and theory

scientific article published on 24 June 2014

Syntheses, reactivity and DFT studies of group 2 and group 12 metal complexes of tris(pyrazolyl)methanides featuring "free" pyramidal carbanions.

artículo científico publicado en 2008

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.

artículo científico publicado en 2002

Synthesis and structure of "16-electron" rhodium(III) catalysts fortransfer hydrogenation of a cyclic imine: mechanistic implications.

artículo científico publicado en 2009

Synthesis of a ruthenium bis(diisopropylamino(isocyano)borane) complex from the activation of an amino(cyano)borane.

artículo científico publicado en 2013

Synthesis of benzocyclobutenes by palladium-catalyzed C-H activation of methyl groups: method and mechanistic study

artículo científico publicado en 2008

Synthesis, bonding and reactivity of a terminal titanium alkylidene hydrazido compound

artículo científico publicado en 2013

Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents

artículo científico publicado en 2010

Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands.

artículo científico publicado en 2011

Titaniumtert-Butoxyimido Compounds

artículo científico publicado en 2011

Transition Metal Polyhydrides:  From Qualitative Ideas to Reliable Computational Studies†

scientific article published on 01 February 2000

Understanding Structural and Dynamic Properties of Well-Defined Rhenium-Based Olefin Metathesis Catalysts, Re(⋮CR)(CHR)(X)(Y), from DFT and QM/MM Calculations

scholarly article by Xavier Solans-Monfort et al published March 2005 in Organometallics

Understanding d0-Olefin Metathesis Catalysts: Which Metal, Which Ligands?

scientific article published on 09 June 2007

Validation of the M−C/H−C Bond Enthalpy Relationship through Application of Density Functional Theory

scientific article published in 2006

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

artículo científico publicado en 2005

cis–trans Isomerisation of CpRe(CO)2(H)(ArF) (ArF= C6FnH5−n; n = 0–5) is the rate determining step in C–H activation of fluoroarenes: a DFT study

d0Re-Based Olefin Metathesis Catalysts, Re(⋮CR)(CHR)(X)(Y): The Key Role of X and Y Ligands for Efficient Active Sites

artículo científico publicado en 2005

η(6) -Arene-Zirconium-PNP-Pincer Complexes: Mechanism of Their Hydrogenolytic Formation and Their Reactivity as Zirconium(II) Synthons.

artículo científico publicado en 2016

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