Eric Clot, Ph.D. - Publications

Affiliations: 
Université de Montpellier / CNRS 
Area:
Theoretical Chemistry
Website:
http://ctmm.icgm.fr/spip.php?rubrique73

136 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Rocaboy R, Dailler D, Zellweger F, Neuburger M, Salomé C, Clot E, Baudoin O. Domino Pd0-Catalyzed C(sp3)-H Arylation/Electrocyclic Reactions via Benzazetidine Intermediates. Angewandte Chemie (International Ed. in English). PMID 30020559 DOI: 10.1002/anie.201807097  0.44
2016 Milani B, Licini G, Clot E, Albrecht M. Small molecule activation. Dalton Transactions (Cambridge, England : 2003). 45: 14419-14420. PMID 27711769 DOI: 10.1039/c6dt90140a  0.32
2016 Balcells D, Clot E, Eisenstein O, Nova A, Perrin L. Deciphering Selectivity in Organic Reactions: A Multifaceted Problem. Accounts of Chemical Research. PMID 27152927 DOI: 10.1021/acs.accounts.6b00099  0.88
2015 Roth T, Wadepohl H, Clot E, Gade LH. Azaphilic versus Carbophilic Coupling at CN Bonds: Key Steps in Titanium-Assisted Multicomponent Reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26542982 DOI: 10.1002/chem.201503732  0.84
2015 Stevenson LC, Mellino S, Clot E, Mountford P. Reactions of Titanium Hydrazides with Silanes and Boranes: N-N Bond Cleavage and N Atom Functionalization. Journal of the American Chemical Society. 137: 10140-3. PMID 26226513 DOI: 10.1021/jacs.5b06627  0.84
2015 Donnelly KF, Lalrempuia R, Müller-Bunz H, Clot E, Albrecht M. Controlling the selectivity of C-H activation in pyridinium triazolylidene iridium complexes: Mechanistic details and influence of remote substituents Organometallics. 34: 858-869. DOI: 10.1021/om501197g  0.84
2015 Holstein PM, Vogler M, Larini P, Pilet G, Clot E, Baudoin O. Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C-H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases Acs Catalysis. 5: 4300-4308. DOI: 10.1021/acscatal.5b00898  0.84
2015 Wallis CJ, Alcaraz G, Petit AS, Poblador-Bahamonde AI, Clot E, Bijani C, Vendier L, Sabo-Etienne S. A Highly Effective Ruthenium System for the Catalyzed Dehydrogenative Cyclization of Amine-Boranes to Cyclic Boranes under Mild Conditions Chemistry - a European Journal. DOI: 10.1002/chem.201501569  0.84
2014 Kefalidis CE, Davi M, Holstein PM, Clot E, Baudoin O. Mechanistic study of the selectivity of olefin versus cyclobutene formation by palladium(0)-catalyzed intramolecular C(sp3)-H activation. The Journal of Organic Chemistry. 79: 11903-10. PMID 25188526 DOI: 10.1021/jo501610x  0.44
2014 Bair JS, Schramm Y, Sergeev AG, Clot E, Eisenstein O, Hartwig JF. Linear-selective hydroarylation of unactivated terminal and internal olefins with trifluoromethyl-substituted arenes. Journal of the American Chemical Society. 136: 13098-101. PMID 25171744 DOI: 10.1021/ja505579f  0.84
2014 Cassen A, Gloaguen Y, Vendier L, Duhayon C, Poblador-Bahamonde A, Raynaud C, Clot E, Alcaraz G, Sabo-Etienne S. B-H, C-H, and B-C bond activation: the role of two adjacent agostic interactions. Angewandte Chemie (International Ed. in English). 53: 7569-73. PMID 24990456 DOI: 10.1002/anie.201404753  0.84
2014 Clot E. Synergy between experiment and theory Dalton Transactions. 43: 11092. DOI: 10.1039/c4dt90087a  0.84
2014 Cassen A, Vendier L, Daran JC, Poblador-Bahamonde AI, Clot E, Alcaraz G, Sabo-Etienne S. B-C bond cleavage and ru-C bond formation from a phosphinoborane: Synthesis of a bis-σ borane aryl-ruthenium complex Organometallics. 33: 7157-7163. DOI: 10.1021/om500972f  0.84
2014 Kefalidis CE, Davi M, Holstein PM, Clot E, Baudoin O. Mechanistic study of the selectivity of olefin versus cyclobutene formation by palladium(0)-catalyzed intramolecular C(sp3)-H activation Journal of Organic Chemistry. 79: 11903-11910. DOI: 10.1021/jo501610x  0.84
2013 Tiong PJ, Groom LR, Clot E, Mountford P. Synthesis, bonding and reactivity of a terminal titanium alkylidene hydrazido compound. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 4198-216. PMID 23401149 DOI: 10.1002/chem.201203905  0.84
2013 Millet A, Larini P, Clot E, Baudoin O. Ligand-controlled β-selective C(sp3)-H arylation of N-Boc-piperidines Chemical Science. 4: 2241-2247. DOI: 10.1039/c3sc50428j  0.84
2013 Joost M, Alcaraz G, Vendier L, Poblador-Bahamonde A, Clot E, Sabo-Etienne S. Synthesis of a ruthenium bis(diisopropylamino(isocyano)borane) complex from the activation of an amino(cyano)borane Dalton Transactions. 42: 776-781. DOI: 10.1039/c2dt32274a  0.84
2013 Groom LR, Schwarz AD, Nova A, Clot E, Mountford P. Synthesis and reactions of a cyclopentadienyl-amidinate titanium tert- Butoxyimido compound Organometallics. 32: 7520-7539. DOI: 10.1021/om401008a  0.84
2013 Gloaguen Y, Bénac-Lestrille G, Vendier L, Helmstedt U, Clot E, Alcaraz G, Sabo-Etienne S. Monosubstituted borane ruthenium complexes RuH2(η 2:η2-H2BR)(PR′3) 2: A general approach to the geminal bis(σ-B-H) coordination mode Organometallics. 32: 4868-4877. DOI: 10.1021/om400610k  0.84
2012 Helmstedt U, Clot E. 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). Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 11449-58. PMID 22847874 DOI: 10.1002/chem.201200757  0.32
2012 Larini P, Kefalidis CE, Jazzar R, Renaudat A, Clot E, Baudoin O. On the mechanism of the palladium-catalyzed β-arylation of ester enolates. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 1932-44. PMID 22241631 DOI: 10.1002/chem.201103153  0.44
2012 Tiong PJ, Nova A, Schwarz AD, Selby JD, Clot E, Mountford P. Site selectivity and reversibility in the reactions of titanium hydrazides with Si-H, Si-X, C-X and H+ reagents: Ti=N(α) 1,2-silane addition, Nβ alkylation, Nα protonation and σ-bond metathesis. Dalton Transactions (Cambridge, England : 2003). 41: 2277-88. PMID 22223159 DOI: 10.1039/c2dt12359b  0.84
2012 Helmstedt U, Clot E. Hydride ligands make the difference: Density functional study of the mechanism of the murai reaction catalyzed by [Ru(H) 2(H 2) 2(PR 3) 2] (R=cyclohexyl) Chemistry - a European Journal. 18: 11449-11458. DOI: 10.1002/chem.201200757  0.84
2012 Larini P, Kefalidis CE, Jazzar R, Renaudat A, Clot E, Baudoin O. On the mechanism of the palladium-catalyzed β-arylation of ester enolates Chemistry - a European Journal. 18: 1932-1944. DOI: 10.1002/chem.201103153  0.84
2012 Clot E, Norrby PO. Modeling in Homogeneous Catalysis: A Tutorial Innovative Catalysis in Organic Synthesis: Oxidation, Hydrogenation, and C-X Bond Forming Reactions. 167-191. DOI: 10.1002/9783527646586.ch8  0.84
2011 Schwarz AD, Nova A, Clot E, Mountford P. Titanium tert-butoxyimido compounds. Inorganic Chemistry. 50: 12155-71. PMID 22043927 DOI: 10.1021/ic201896q  0.84
2011 Bénac-Lestrille G, Helmstedt U, Vendier L, Alcaraz G, Clot E, Sabo-Etienne S. Dimethylaminoborane (H2BNMe2) coordination to late transition metal centers: snapshots of the B-H oxidative addition process. Inorganic Chemistry. 50: 11039-45. PMID 21954867 DOI: 10.1021/ic201573q  0.32
2011 Gloaguen Y, Alcaraz G, Petit AS, Clot E, Coppel Y, Vendier L, Sabo-Etienne S. Ruthenium agostic (Phosphinoaryl)borane complexes: Multinuclear solid-state and solution NMR, X-ray, and DFT studies Journal of the American Chemical Society. 133: 17232-17238. PMID 21905707 DOI: 10.1021/ja203828r  0.84
2011 Schwarz AD, Nova A, Clot E, Mountford P. Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands. Chemical Communications (Cambridge, England). 47: 4926-8. PMID 21445387 DOI: 10.1039/c1cc10862j  0.84
2011 Clot E, Eisenstein O, Jasim N, Macgregor SA, McGrady JE, Perutz RN. C-F and C-H bond activation of fluorobenzenes and fluoropyridines at transition metal centers: how fluorine tips the scales. Accounts of Chemical Research. 44: 333-48. PMID 21410234 DOI: 10.1021/ar100136x  0.84
2011 Tiong PJ, Nova A, Clot E, Mountford P. 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. Chemical Communications (Cambridge, England). 47: 3147-9. PMID 21274470 DOI: 10.1039/c0cc05165a  0.84
2011 Schofield AD, Nova A, Selby JD, Schwarz AD, Clot E, Mountford P. 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. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 265-85. PMID 21207623 DOI: 10.1002/chem.201002776  0.84
2011 Selby JD, Feliz M, Schwarz AD, Clot E, Mountford P. New sandwich and half-sandwich titanium hydrazido compounds Organometallics. 30: 2295-2307. DOI: 10.1021/om200068k  0.84
2011 Tiong PJ, Nova A, Groom LR, Schwarz AD, Selby JD, Schofield AD, Clot E, Mountford P. Reactions of cyclopentadienyl-amidinate titanium hydrazides with CO 2, CS2, and isocyanates: Ti=Nα cycloaddition, cycloaddition-insertion, and cycloaddition-NNR2 group transfer reactions Organometallics. 30: 1182-1201. DOI: 10.1021/om101167p  0.84
2011 Bénac-Lestrille G, Helmstedt U, Vendier L, Alcaraz G, Clot E, Sabo-Etienne S. Dimethylaminoborane (H2BNMe2) coordination to late transition metal centers: Snapshots of the B-H oxidative addition process Inorganic Chemistry. 50: 11039-11045. DOI: 10.1021/ic201573q  0.84
2010 Guihaumé J, Clot E, Eisenstein O, Perutz RN. Importance of palladium-carbon bond energies in direct arylation of polyfluorinated benzenes. Dalton Transactions (Cambridge, England : 2003). 39: 10510-9. PMID 20931129 DOI: 10.1039/c0dt00296h  0.84
2010 Kefalidis CE, Baudoin O, Clot E. 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. Dalton Transactions (Cambridge, England : 2003). 39: 10528-35. PMID 20927457 DOI: 10.1039/c0dt00578a  0.44
2010 Tanabe T, Brennessel WW, Clot E, Eisenstein O, Jones WD. Synthesis, structure, and reductive elimination in the series Tp'Rh(PR3)(Ar(F))H; determination of rhodium-carbon bond energies of fluoroaryl substituents. Dalton Transactions (Cambridge, England : 2003). 39: 10495-509. PMID 20924525 DOI: 10.1039/c0dt00157k  0.84
2010 Renaudat A, Jean-Gérard L, Jazzar R, Kefalidis CE, Clot E, Baudoin O. Palladium-catalyzed β arylation of carboxylic esters. Angewandte Chemie (International Ed. in English). 49: 7261-5. PMID 20725922 DOI: 10.1002/anie.201003544  0.44
2010 Rousseaux S, Davi M, Sofack-Kreutzer J, Pierre C, Kefalidis CE, Clot E, Fagnou K, Baudoin O. Intramolecular palladium-catalyzed alkane C-H arylation from aryl chlorides. Journal of the American Chemical Society. 132: 10706-16. PMID 20681703 DOI: 10.1021/ja1048847  0.84
2010 Schofield AD, Nova A, Selby JD, Manley CD, Schwarz AD, Clot E, Mountford P. 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. Journal of the American Chemical Society. 132: 10484-97. PMID 20617837 DOI: 10.1021/ja1036513  0.84
2010 Balcells D, Clot E, Eisenstein O. C-H bond activation in transition metal species from a computational perspective. Chemical Reviews. 110: 749-823. PMID 20067255 DOI: 10.1021/cr900315k  0.84
2010 Tiong PJ, Schofield AD, Selby JD, Nova A, Clot E, Mountford P. Single and double substrate insertion into the Ti=N(alpha) bonds of terminal titanium hydrazides. Chemical Communications (Cambridge, England). 46: 85-7. PMID 20024301 DOI: 10.1039/b920090h  0.84
2010 Kefalidis CE, Baudoin O, Clot E. 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 Dalton Transactions. 39: 10528-10535. DOI: 10.1039/c0dt00578a  0.84
2010 Taffn C, Kreutler G, Bourgeois D, Clot E, Périgaud C. Diels-Alder reaction of vinylene carbonate and 2,5-dimethylfuran: Kinetic vs. thermodynamic control New Journal of Chemistry. 34: 517-525. DOI: 10.1039/b9nj00536f  0.84
2010 Alcaraz G, Chaplin AB, Stevens CJ, Clot E, Vendier L, Weller AS, Sabo-Etienne S. Ruthenium, rhodium, and iridium bis(σ-B-H) diisopropylaminoborane complexes Organometallics. 29: 5591-5595. DOI: 10.1021/om1004995  0.84
2010 Kraft BM, Clot E, Eisenstein O, Brennessel WW, Jones WD. Mechanistic investigation of vinylic carbon-fluorine bond activation of perfluorinated cycloalkenes using Cp*2ZrH2 and Cp*2ZrHF Journal of Fluorine Chemistry. 131: 1122-1132. DOI: 10.1016/j.jfluchem.2010.05.003  0.84
2010 Renaudat A, Jean-GÚrard L, Jazzar R, Kefalidis CE, Clot E, Baudoin O. Palladium-catalyzed β arylation of carboxylic esters Angewandte Chemie - International Edition. 49: 7261-7265. DOI: 10.1002/anie.201003544  0.84
2010 Alcaraz G, Vendier L, Clot E, Sabo-Etienne S. Ruthenium Bis(σ-B-H) aminoborane complexes from dehydrogenation of amine-boranes: trapping of H2B-NH2 Angewandte Chemie - International Edition. 49: 918-920. DOI: 10.1002/anie.200905970  0.84
2009 Blacker AJ, Clot E, Duckett SB, Eisenstein O, Grace J, Nova A, Perutz RN, Taylor DJ, Whitwood AC. Synthesis and structure of "16-electron" rhodium(III) catalysts fortransfer hydrogenation of a cyclic imine: mechanistic implications. Chemical Communications (Cambridge, England). 6801-3. PMID 19885484 DOI: 10.1039/b912943j  0.84
2009 Evans ME, Burke CL, Yaibuathes S, Clot E, Eisenstein O, Jones WD. Energetics of C-H bond activation of fluorinated aromatic hydrocarbons using a [Tp'Rh(CNneopentyl)] complex. Journal of the American Chemical Society. 131: 13464-73. PMID 19708667 DOI: 10.1021/ja905057w  0.84
2009 Guiducci AE, Boyd CL, Clot E, Mountford P. Reactions of cyclopentadienyl-amidinate titanium imido compounds with CO2: cycloaddition-extrusion vs. cycloaddition-insertion. Dalton Transactions (Cambridge, England : 2003). 5960-79. PMID 19623397 DOI: 10.1039/b901774g  0.84
2009 Clot E, Mégret C, Eisenstein O, Perutz RN. 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. Journal of the American Chemical Society. 131: 7817-27. PMID 19453181 DOI: 10.1021/ja901640m  0.84
2009 Ciancaleoni G, Zuccaccia C, Zuccaccia D, Clot E, Macchioni A. Self-aggregation tendency of all species involved in the catalytic cycle of bifunctional transfer hydrogenation Organometallics. 28: 960-967. DOI: 10.1021/om8009552  0.84
2009 Clot E. Ion-pairing in organometallic chemistry: Structure and influence on proton transfer from a computational perspective European Journal of Inorganic Chemistry. 2319-2328. DOI: 10.1002/ejic.200900151  0.84
2009 Gloaguen Y, Alcaraz G, Pécharman AF, Clot E, Vendier L, Sabo-Etienne S. Phosphinoborane and sulfidoborohydride as chelating ligands in polyhydride ruthenium complexes: Agostic s-borane versus dihydroborate coordination Angewandte Chemie - International Edition. 48: 2964-2968. DOI: 10.1002/anie.200806178  0.84
2008 Selby JD, Schulten C, Schwarz AD, Stasch A, Clot E, Jones C, Mountford P. Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of Ti=NNPh2 with PhCCMe, PhCCH, MeCN and tBuCP. Chemical Communications (Cambridge, England). 5101-3. PMID 18956035 DOI: 10.1039/b813911c  0.84
2008 Chaumontet M, Piccardi R, Audic N, Hitce J, Peglion JL, Clot E, Baudoin O. Synthesis of benzocyclobutenes by palladium-catalyzed C-H activation of methyl groups: Method and mechanistic study Journal of the American Chemical Society. 130: 15157-15166. PMID 18928284 DOI: 10.1021/ja805598s  0.84
2008 Alcaraz G, Helmstedt U, Clot E, Vendier L, Sabo-Etienne S. A terminal borylene ruthenium complex: from B-H activation to reversible hydrogen release. Journal of the American Chemical Society. 130: 12878-9. PMID 18774807 DOI: 10.1021/ja805164n  0.32
2008 Bigmore HR, Meyer J, Krummenacher I, Rüegger H, Clot E, Mountford P, Breher F. Syntheses, reactivity and DFT studies of group 2 and group 12 metal complexes of tris(pyrazolyl)methanides featuring "free" pyramidal carbanions. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 5918-34. PMID 18491348 DOI: 10.1002/chem.200800181  0.84
2008 Blanc F, Basset JM, Copéret C, Sinha A, Tonzetich ZJ, Schrock RR, Solans-Monfort X, Clot E, Eisenstein O, Lesage A, Emsley L. Dynamics of silica-supported catalysts determined by combining solid-state NMR spectroscopy and DFT calculations. Journal of the American Chemical Society. 130: 5886-900. PMID 18402450 DOI: 10.1021/ja077749v  0.84
2008 Leduc AM, Salameh A, Soulivong D, Chabanas M, Basset JM, Copéret C, Solans-Monfort X, Clot E, Eisenstein O, Böhm VP, Röper M. 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. Journal of the American Chemical Society. 130: 6288-97. PMID 18402448 DOI: 10.1021/ja800189a  0.84
2008 Câmpian MV, Clot E, Eisenstein O, Helmstedt U, Jasim N, Perutz RN, Whitwood AC, Williamson D. Stereochemical nonrigidity of a chiral rhodium boryl hydride complex: a sigma-borane complex as transition state for isomerization. Journal of the American Chemical Society. 130: 4375-85. PMID 18327937 DOI: 10.1021/ja077357o  0.84
2008 Selby JD, Manley CD, Schwarz AD, Clot E, Mountford P. Titanium hydrazides supported by diamide-amine and related ligands: A combined experimental and DFT study Organometallics. 27: 6479-6494. DOI: 10.1021/om8007597  0.84
2008 Feliz M, Bolton PD, Mountford P, Clot E. Ti=NR vs Ti-R′ functional group selectivity in titanium imido alkyl cations from a DFT perspective Organometallics. 27: 6111-6122. DOI: 10.1021/om8007103  0.84
2008 Bolton PD, Feliz M, Cowley AR, Clot E, Mountford P. Ti=NR vs Ti-R′ functional group selectivity in titanium imido alkyl cations from an experimental perspective Organometallics. 27: 6096-6110. DOI: 10.1021/om800709f  0.84
2008 Tredget CS, Clot E, Mountford P. Synthesis, DFT studies, and reactions of scandium and yttrium dialkyl cations containing neutral fac-N3 and fac-S3 donor ligands Organometallics. 27: 3458-3473. DOI: 10.1021/om800279d  0.84
2008 Balcells D, Nova A, Clot E, Gnanamgari D, Crabtree RH, Eisenstein O. Mechanism of homogeneous iridium-catalyzed alkylation of amines with alcohols from a DFT study Organometallics. 27: 2529-2535. DOI: 10.1021/om800134d  0.84
2008 Poyatos M, McNamara W, Incarvito C, Clot E, Peris E, Crabtree RH. A weak donor, planar chelating bitriazole N-heterocyclic carbene ligand for ruthenium(II), palladium(II), and rhodium Organometallics. 27: 2128-2136. DOI: 10.1021/om800021c  0.84
2008 Alcaraz G, Helmstedt U, Clot E, Vendier L, Sabo-Etienne S. A terminal borylene ruthenium complex: From B-H activation to reversible hydrogen release Journal of the American Chemical Society. 130: 12878-12879. DOI: 10.1021/ja805164n  0.84
2008 Barone CR, Cini R, Clot E, Eisenstein O, Maresca L, Natile G, Tamasi G. A NMR, X-ray, and DFT combined study on the regio-chemistry of nucleophilic addition to platinum(II) coordinated terminal olefins Journal of Organometallic Chemistry. 693: 2819-2827. DOI: 10.1016/j.jorganchem.2008.05.040  0.84
2007 Selby JD, Manley CD, Feliz M, Schwarz AD, Clot E, Mountford P. 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. Chemical Communications (Cambridge, England). 4937-9. PMID 18361375 DOI: 10.1039/b711941k  0.84
2007 Voutchkova AM, Feliz M, Clot E, Eisenstein O, Crabtree RH. Imidazolium carboxylates as versatile and selective N-heterocyclic carbene transfer agents: synthesis, mechanism, and applications. Journal of the American Chemical Society. 129: 12834-46. PMID 17900114 DOI: 10.1021/ja0742885  0.84
2007 Alcaraz G, Clot E, Helmstedt U, Vendier L, Sabo-Etienne S. Mesitylborane as a bis(sigma-B-H) ligand: an unprecedented bonding mode to a metal center. Journal of the American Chemical Society. 129: 8704-5. PMID 17595092 DOI: 10.1021/ja0733538  0.32
2007 Poater A, Solans-Monfort X, Clot E, Copéret C, Eisenstein O. Understanding d(0)-olefin metathesis catalysts: which metal, which ligands? Journal of the American Chemical Society. 129: 8207-16. PMID 17559212 DOI: 10.1021/ja070625y  0.84
2007 Clot E, Eisenstein O, Crabtree RH. Computational structure-activity relationships in H2 storage: how placement of N atoms affects release temperatures in organic liquid storage materials. Chemical Communications (Cambridge, England). 2231-3. PMID 17534500 DOI: 10.1039/b705037b  0.84
2007 Clot E, Eisenstein O, Jones WD. Structural and dynamic properties of propane coordinated to TpRh(CNR) from a confrontation between theory and experiment. Proceedings of the National Academy of Sciences of the United States of America. 104: 6939-44. PMID 17412834 DOI: 10.1073/pnas.0609454104  0.84
2007 Toner A, Matthes J, Gründemann S, Limbach HH, Chaudret B, Clot E, Sabo-Etienne S. Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes. Proceedings of the National Academy of Sciences of the United States of America. 104: 6945-50. PMID 17360384 DOI: 10.1073/pnas.0608979104  0.44
2007 Toner A, Matthes J, Gründemann S, Limbach HH, Chaudret B, Clot E, Sabo-Etienne S. Agostic interaction and intramolecular proton transfer from the protonation of dihydrogen ortho metalated ruthenium complexes Proceedings of the National Academy of Sciences of the United States of America. 104: 6945-6950. DOI: 10.1073/pnas.0608979104  0.84
2007 Viciano M, Feliz M, Corberán R, Mata JA, Clot E, Peris E. Aliphatic versus aromatic C-H activation in the formation of abnormal carbenes with iridium: A combined experimental and theoretical study Organometallics. 26: 5304-5314. DOI: 10.1021/om7006979  0.84
2007 Zuccaccia D, Bellachioma G, Cardaci G, Ciancaleoni G, Zuccaccia C, Clot E, Macchioni A. Interionic structure of ion pairs and ion quadruples of half-sandwich ruthenium(II) salts bearing a-diimine ligands Organometallics. 26: 3930-3946. DOI: 10.1021/om7003157  0.84
2007 Alcaraz G, Clot E, Helmstedt U, Vendier L, Sabo-Etienne S. Mesitylborane as a bis(σ-B-H) ligand: An unprecedented bonding mode to a metal center Journal of the American Chemical Society. 129: 8704-8705. DOI: 10.1021/ja0733538  0.84
2007 Crabtree R, Eisenstein O, Clot E. Hydrogen storage in azaheterocyclic organic liquids Acs National Meeting Book of Abstracts 0.84
2006 Bolton PD, Clot E, Cowley AR, Mountford P. AlMe3 and ZnMe2 adducts of a titanium imido methyl cation: a combined crystallographic, spectroscopic, and DFT study. Journal of the American Chemical Society. 128: 15005-18. PMID 17105313 DOI: 10.1021/ja065638a  0.84
2006 Clot E, Mégret C, Eisenstein O, Perutz RN. Validation of the M-C/H-C bond enthalpy relationship through application of density functional theory. Journal of the American Chemical Society. 128: 8350-7. PMID 16787100 DOI: 10.1021/ja061803a  0.84
2006 Poater A, Solans-Monfort X, Clot E, Copéret C, Eisenstein O. 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. Dalton Transactions (Cambridge, England : 2003). 3077-87. PMID 16786066 DOI: 10.1039/b604481f  0.84
2006 Sparkes HA, Raithby PR, Clot E, Shields GP, Chisholm JA, Allen FH. Carbonyl⋯carbonyl interactions in first-row transition metal complexes Crystengcomm. 8: 563-570. DOI: 10.1039/b607531m  0.84
2006 Bolton PD, Adams N, Clot E, Cowley AR, Wilson PJ, Schröder M, Mountford P. Synthesis and ethylene polymerization capability of metallocene-like imido titanium dialkyl compounds and their reactions with AliBu3 Organometallics. 25: 5549-5565. DOI: 10.1021/om0606136  0.84
2006 Bolton PD, Clot E, Adams N, Dubberley SR, Cowley AR, Mountford P. Experimental and DFT Studies of cationic imido titanium alkyls: Agostic interactions and C-H bond and solvent activation reactions of isoiobal analogues of group 4 metallocenium cations Organometallics. 25: 2806-2825. DOI: 10.1021/om060096r  0.84
2005 Appelhans LN, Zuccaccia D, Kovacevic A, Chianese AR, Miecznikowski JR, Macchioni A, Clot E, Eisenstein O, Crabtree RH. 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. Journal of the American Chemical Society. 127: 16299-311. PMID 16287324 DOI: 10.1021/ja055317j  0.84
2005 Solans-Monfort X, Clot E, Copéret C, Eisenstein O. d0 Re-based olefin metathesis catalysts, Re([triple bond]CR)(=CHR)(X)(Y): the key role of X and Y ligands for efficient active sites. Journal of the American Chemical Society. 127: 14015-25. PMID 16201824 DOI: 10.1021/ja053528i  0.84
2005 Bolton PD, Clot E, Cowley AR, Mountford P. Well-defined imidotitanium alkyl cations: agostic interactions, migratory insertion vs.[2+2] cycloaddition, and the first structurally authenticated AlMe(3) adduct of any transition metal alkyl cation. Chemical Communications (Cambridge, England). 3313-5. PMID 15983658 DOI: 10.1039/b504567c  0.84
2005 Zuccaccia D, Clot E, Macchioni A. Aggregation in solution of neutral half-sandwich Ru(II) precatalysts for transfer hydrogenation New Journal of Chemistry. 29: 430-433. DOI: 10.1039/b415560b  0.84
2005 Aballay A, Clot E, Eisenstein O, Garland MT, Godoy F, Klahn AH, Muñoz JC, Oelckers B. Selectivity in C-Cl bond activation of dichloroarenes by photogenerated Cp*Re(CO)2: Combined experimental and DFT studies New Journal of Chemistry. 29: 226-231. DOI: 10.1039/b410265g  0.84
2005 Ward BD, Orde G, Clot E, Cowley AR, Gade LH, Mountford P. Reactions of neutral and cationic diamide-supported imido complexes with CO2 and other heterocumulenes: Issues of site selectivity Organometallics. 24: 2368-2385. DOI: 10.1021/om0500265  0.84
2005 Boyd CL, Clot E, Guiducci AE, Mountford P. Pendant arm functionalized benzamidinate titanium imido compounds: Experimental and computational studies of their reactions with CO2 Organometallics. 24: 2347-2367. DOI: 10.1021/om049026f  0.84
2005 Solans-Monfort X, Clot E, Copéret C, Eisenstein O. Understanding structural and dynamic properties of well-defined rhenium-based olefin metathesis catalysts, Re(≡CR)(=CHR)(X)(Y), from DFT and QM/MM calculations Organometallics. 24: 1586-1597. DOI: 10.1021/om048997s  0.84
2005 Alunni S, Bellachioma G, Clot E, Giacco TD, Ottavi L, Zuccaccia D. 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 Journal of Organic Chemistry. 70: 10688-10692. DOI: 10.1021/jo051324e  0.84
2004 Clot E, Eisenstein O, Weng TC, Penner-Hahn J, Caulton KG. Is the allylpalladium structure altered between solid and solutions? Journal of the American Chemical Society. 126: 9079-84. PMID 15264841 DOI: 10.1021/ja049091g  0.84
2004 Clot E, Chen J, Lee DH, Sung SY, Appelhans LN, Faller JW, Crabtree RH, Eisenstein O. Double geminal C-H activation and reversible alpha-elimination in 2-aminopyridine iridium(III) complexes: the role of hydrides and solvent in flattening the free energy surface. Journal of the American Chemical Society. 126: 8795-804. PMID 15250733 DOI: 10.1021/ja048473j  0.84
2004 Clot E, Mégret C, Kraft BM, Eisenstein O, Jones WD. Defluorination of perfluoropropene using Cp*2ZrH2 and Cp2ZrHF: a mechanism investigation from a joint experimental-theoretical perspective. Journal of the American Chemical Society. 126: 5647-53. PMID 15113236 DOI: 10.1021/ja0499243  0.84
2004 Ward BD, Orde G, Clot E, Cowley AR, Gade LH, Mountford P. Synthesis, reactivity, and computational studies of the cationic tungsten methyl complex W(NPh)(N2Npy)Me+ and Related Compounds (N2Npy = MeC(2-C5H 4N)(CH2NSiMe3)2) Organometallics. 23: 4444-4461. DOI: 10.1021/om0497011  0.84
2004 Matthes J, Gründemann S, Toner A, Guari Y, Donnadieu B, Spandl J, Sabo-Etienne S, Clot E, Limbach HH, Chaudret B. Ortho-Metalated Ruthenium Hydrido Dihydrogen Complexes: Dynamics, Exchange Couplings, and Reactivity Organometallics. 23: 1424-1433. DOI: 10.1021/om034259c  0.84
2003 Le Paih J, Monnier F, Dérien S, Dixneuf PH, Clot E, Eisenstein O. 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. Journal of the American Chemical Society. 125: 11964-75. PMID 14505418 DOI: 10.1021/ja0349554  0.84
2003 Zuccaccia D, Sabatini S, Bellachioma G, Cardaci G, Clot E, Macchioni A. PGSE and NOE NMR evidence for higher order aggregation in some cationic ruthenium complexes in both protic and aprotic solvents. Inorganic Chemistry. 42: 5465-7. PMID 12950187 DOI: 10.1021/ic034549l  0.36
2003 Clot E, Besora M, Maseras F, Mégret C, Eisenstein O, Oelckers B, Perutz RN. Bond energy M-C/H-C correlations: dual theoretical and experimental approach to the sensitivity of M-C bond strength to substituents. Chemical Communications (Cambridge, England). 490-1. PMID 12638964  0.84
2003 Miecznikowski JR, Gründemann S, Albrecht M, Mégret C, Clot E, Faller JW, Eisenstein O, Crabtree RH. Outer sphere anion participation can modify the mechanism for conformer interconversion in Pd pincer complexes Dalton Transactions. 831-838. DOI: 10.1039/b210784h  0.84
2003 Gruet K, Clot E, Eisenstein O, Lee DH, Patel B, Macchioni A, Crabtree RH. Ion pairing effects in intramolecular heterolytic H2 activation in an Ir(III) complex: A combined theoretical/experimental study New Journal of Chemistry. 27: 80-87. DOI: 10.1039/b207339k  0.84
2003 Zuccaccia D, Sabatini S, Bellachioma G, Cardaci G, Clot E, Macchioni A. PGSE and NOE NMR evidence for higher order aggregation in some cationic ruthenium complexes in both protic and aprotic solvents Inorganic Chemistry. 42: 5465-5467. DOI: 10.1021/ic034549l  0.84
2003 Clot E, Oelckers B, Klahn AH, Eisenstein O, Perutz RN. 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 Journal of the Chemical Society. Dalton Transactions. 4065-4074.  0.84
2002 Ward BD, Clot E, Dubberley SR, Gade LH, Mountford P. 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. Chemical Communications (Cambridge, England). 2618-9. PMID 12510265  0.84
2002 Kovacevic A, Gründemann S, Miecznikowski JR, Clot E, Eisenstein O, Crabtree RH. Counter-ion effects switch ligand binding from C-2 to C-5 in kinetic carbenes formed from an imidazolium salt and Irh5(PPHh3)2 Chemical Communications. 8: 2580-2581. DOI: 10.1039/b207588c  0.84
2002 Clot E, Eisenstein O, Dubé T, Faller JW, Crabtree RH. Interplay of weak interactions: An iridium(III) system with an agostic tert-butyl but a nonagostic isopropyl group Organometallics. 21: 575-580. DOI: 10.1021/om010802i  0.84
2001 Perrin L, Clot E, Eisenstein O, Loch J, Crabtree RH. Computed ligand electronic parameters from quantum chemistry and their relation to Tolman parameters, Lever parameters, and Hammett constants. Inorganic Chemistry. 40: 5806-11. PMID 11681889 DOI: 10.1021/ic0105258  0.84
2001 Clot E, Eisenstein O, Crabtree RH. How hydrogen bonding affects ligand binding and fluxionality in transition metal complexes: A DFT study on interligand hydrogen bonds involving HF and H2O New Journal of Chemistry. 25: 66-72. DOI: 10.1039/b006829m  0.84
2001 Macchioni A, Zuccaccia C, Clot E, Gruet K, Crabtree RH. Selective ion pairing in [Ir(bipy)H2(PRPh2)2]A (A = PF6, BF4, CF3SO3, BPh4, R = Me, Ph): Experimental identification and theoretical understanding Organometallics. 20: 2367-2373. DOI: 10.1021/om010015l  0.84
2000 Maseras F, Lledós A, Clot E, Eisenstein O. Transition metal polyhydrides: from qualitative ideas to reliable computational studies. Chemical Reviews. 100: 601-36. PMID 11749246  0.84
2000 Coalter JN, Bollinger JC, Huffman JC, Werner-Zwanziger U, Caulton KG, Davidson ER, Gérard H, Clot E, Eisenstein O. Coordinated carbenes from electron-rich olefins on RuHCl(PPr3/(i))2 New Journal of Chemistry. 24: 9-26. DOI: 10.1039/a907624g  0.84
2000 Gérard H, Clot E, Giessner-Prettre C, Caulton KG, Davidson ER, Eisenstein O. Fate of CH2 double bond CHE (E = H, OMe) in the presence of unsaturated Ru(X) (H)L2 q+ (X = Cl, q = 0; X = CO, q = 1): highly sensitive to X and E Organometallics. 19: 2291-2298. DOI: 10.1021/om991002z  0.84
2000 Toner AJ, Gründemann S, Clot E, Limbach HH, Donnadieu B, Sabo-Etienne S, Chaudret B. Ruthenium assisted reversible proton transfer from an aromatic carbon to a hydride [7] Journal of the American Chemical Society. 122: 6777-6778. DOI: 10.1021/ja9943997  0.84
1999 Gérard H, Clot E, Eisenstein O. 18-Electron Os(X)(CHR)(Cl)(CO)L2 (X = H, Cl): Not octahedral and metastable? New Journal of Chemistry. 23: 495-498. DOI: 10.1039/a809997i  0.84
1999 Manteghetti A, Belin C, Tillard-Charbonnel M, Pascal JL, Clot E, Favier F. Conformational preferences of bis(acetonitrile)tetrachloro molybdenum(IV) and tungsten(IV). Crystal structure of WCl4(CH3CN)2 and DFT calculations New Journal of Chemistry. 23: 165-171. DOI: 10.1039/a805973j  0.84
1999 Clot E, Eckert J. From inelastic neutron scattering to structural information. A two- dimensional parametrized model to study metal-(H2) interaction Journal of the American Chemical Society. 121: 8855-8863. DOI: 10.1021/ja9836141  0.84
1999 Cooper AC, Clot E, Huffman JC, Streib WE, Maseras F, Eisenstein O, Caulton KG. Computational and experimental test of steric influence on agostic interactions: A homologous series for Ir(III) Journal of the American Chemical Society. 121: 97-106. DOI: 10.1021/ja981727e  0.84
1999 Huang D, Gérard H, Clot E, Young V, Streib WE, Eisenstein O, Caulton KG. L′ = CO vs Cl- transposition: Remarkable consequences for the product of (L′)-Ru(L)2-(H) and vinyl ether Organometallics. 18: 5441-5443.  0.84
1999 Ayllon JA, Sayers SF, Sabo-Etienne S, Donnadieu B, Chaudret B, Clot E. Proton transfer in aminocyclopentadienyl ruthenium hydride complexes Organometallics. 18: 3981-3990.  0.84
1999 Lee DH, Patel BP, Clot E, Eisenstein O, Crabtree RH. Heterolytic dihydrogen activation in an iridium complex with a pendant basic group Chemical Communications. 297-298.  0.84
1998 Coalter JN, Spivak GJ, Gerard H, Clot E, Davidson ER, Eisenstein O, Caulton KG. Carbene complexes from olefins, using RuHCl(P(i)Pr3)2. Influence of the olefin substituent [14] Journal of the American Chemical Society. 120: 9388-9389. DOI: 10.1021/ja980518r  0.84
1998 Oliván M, Clot E, Eisenstein O, Caulton KG. Hydride is not a spectator ligand in the formation of hydrido vinylidene from terminal alkyne and ruthenium and osmium hydrides: Mechanistic differences Organometallics. 17: 3091-3100.  0.84
1998 Clot E, Eisenstein O. 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 Journal of Physical Chemistry A. 102: 3592-3598.  0.84
1998 Oliván M, Clot E, Eisenstein O, Caulton KG. Isomeric hydrido/vinylidene, MH(halide)(C=CH2)L2, and ethylidyne, M(halide) (C-CH3)L2 (M = Os, Ru; L = phosphine), are energetically similar but not interconverting Organometallics. 17: 897-901.  0.84
1997 Kuhlman R, Clot E, Leforestier C, Streib WE, Eisenstein O, Caulton KG. Quantum exchange coupling: A hypersensitive indicator of weak interactions Journal of the American Chemical Society. 119: 10153-10169. DOI: 10.1021/ja970603j  0.84
1995 Clot E, Leforestier C, Eisenstein O, Pélissier M. Dynamics on an ab initio surface for calculating JHH NMR exchange coupling. The case of OsH3X(PH3)2 Journal of the American Chemical Society. 117: 1797-1799.  0.84
1993 Eckert J, Jensen CM, Jones G, Clot E, Eisenstein O. An extremely low barrier to rotation of dihydrogen in the complex IrClH2(η2-H2)(PiPr 3)2 Journal of the American Chemical Society. 115: 11056-11057.  0.84
1993 Albinati A, Bakhmutov VI, Caulton KG, Clot E, Eckert J, Eisenstein O, Gusev DG, Grushin VV, Hauger BE, Klooster WT, Koetzle TF, McMullan RK, O'Loughlin TJ, Pélissier M, Ricci JS, et al. Reaction of H2 with IrHCl2P2 (P = PiPr3 or PtBu2Ph): Stereoelectronic control of the stability of molecular H2 transition metal complexes Journal of the American Chemical Society. 115: 7300-7312.  0.84
1992 Hakansson M, Jagner S, Clot E, Eisenstein O. Structural variants of tetranuclear L4Cu4X4. Influence of L on the coordination mode of copper(I) Inorganic Chemistry. 31: 5389-5394.  0.84
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