Eric Clot, Ph.D. - Publications

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

145 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
2024 Benaissa I, Rialland B, Bennaamane S, Espada M, Saffon-Merceron N, Fustier-Boutignon M, Clot E, Mézailles N. N2 Functionalization via Molybdenum-Nitride Complex: Stepwise BH Bond Additions. Angewandte Chemie (International Ed. in English). e202402586. PMID 38683630 DOI: 10.1002/anie.202402586  0.342
2023 Coffinet A, Specklin D, Le Dé Q, Bennaamane S, Muñoz L, Vendier L, Clot E, Mézailles N, Simonneau A. ASSESSING COMBINATIONS OF B(C6F5)3 AND N2-DERIVED MOLYBDENUM NITRIDO COMPLEXES FOR HETEROLYTIC BOND ACTIVATION. Chemistry (Weinheim An Der Bergstrasse, Germany). e202203774. PMID 36805704 DOI: 10.1002/chem.202203774  0.346
2020 Yang J, Postils V, Lipschutz MI, Fasulo M, Raynaud C, Clot E, Eisenstein O, Tilley TD. Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates. Chemical Science. 11: 5043-5051. PMID 34122961 DOI: 10.1039/d0sc00997k  0.492
2020 Osadchuk I, Borovkov V, Aav R, Clot E. Benchmarking computational methods and influence of guest conformation on chirogenesis in zinc porphyrin complexes. Physical Chemistry Chemical Physics : Pccp. PMID 32368771 DOI: 10.1039/D0Cp00965B  0.3
2020 Konrad N, Meniailava D, Osadchuk I, Adamson J, Hasan M, Clot E, Aav R, Borovkov V, Kananovich D. Supramolecular chirogenesis in zinc porphyrins: Complexation with enantiopure thiourea derivatives, binding studies and chirality transfer mechanism Journal of Porphyrins and Phthalocyanines. 24: 840-849. DOI: 10.1142/S108842461950192X  0.354
2020 Yang J, Postils V, Lipschutz MI, Fasulo M, Raynaud C, Clot E, Eisenstein O, Tilley TD. Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates Chemical Science. 11: 5043-5051. DOI: 10.1039/D0Sc00997K  0.502
2020 Mohr Y, Renom-Carrasco M, Demarcy C, Quadrelli EA, Camp C, Wisser FM, Clot E, Thieuleux C, Canivet J. Regiospecificity in Ligand-Free Pd-Catalyzed C–H Arylation of Indoles: LiHMDS as Base and Transient Directing Group Acs Catalysis. 10: 2713-2719. DOI: 10.1021/Acscatal.9B04864  0.348
2020 Bennaamane S, Espada MF, Yagoub I, Saffon-Merceron N, Nebra N, Fustier-Boutignon M, Clot E, Mézailles N. Stepwise Functionalization of N2 at Mo: Nitrido to Imido to Amido - Factors Favoring Amine Elimination from the Amido Complex European Journal of Inorganic Chemistry. 2020: 1499-1505. DOI: 10.1002/Ejic.201901295  0.338
2019 Liu Y, Bergès J, Zaid Y, Ouazzani Chahdi F, Van der Lee A, Harakat D, Clot E, Jaroschik F, Taillefer M. Aerobic and Ligand-free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in-situ Formation of Aryllithiums. The Journal of Organic Chemistry. PMID 30665303 DOI: 10.1021/Acs.Joc.8B02834  0.402
2019 Balcells D, Clot E, Macgregor SA, Maseras F, Perrin L. A Career in Catalysis: Odile Eisenstein Acs Catalysis. 9: 10375-10388. DOI: 10.1021/Acscatal.9B02498  0.647
2018 Fernandez Espada M, Bennaamane S, Liao Q, Saffon-Merceron N, Massou S, Clot E, Nebra N, Fustier-Boutignon M, Mézailles N. Room Temperature Functionalization of N2 to Borylamine at a Mo Complex. Angewandte Chemie (International Ed. in English). PMID 30039532 DOI: 10.1002/Anie.201805915  0.398
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  0.402
2018 Merz LS, Wadepohl H, Clot E, Gade LH. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends. Chemical Science. 9: 5223-5232. PMID 29997877 DOI: 10.1039/C8Sc01025K  0.444
2018 Foschi F, Roth T, Enders M, Wadepohl H, Clot E, Gade LH. Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives. Chemical Communications (Cambridge, England). PMID 29431846 DOI: 10.1039/C8Cc00478A  0.36
2018 Gilmour DJ, Lauzon JMP, Clot E, Schafer LL. Ta-Catalyzed Hydroaminoalkylation of Alkenes: Insights into Ligand-Modified Reactivity Using DFT Organometallics. 37: 4387-4394. DOI: 10.1021/Acs.Organomet.8B00674  0.419
2018 Wei D, Sadek O, Dorcet V, Roisnel T, Darcel C, Gras E, Clot E, Sortais J. Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study Journal of Catalysis. 366: 300-309. DOI: 10.1016/J.Jcat.2018.08.008  0.406
2017 Pétry N, Benakki H, Clot E, Retailleau P, Guenoun F, Asserar F, Sekkat C, Métro TX, Martinez J, Lamaty F. A mechanochemical approach to access the proline-proline diketopiperazine framework. Beilstein Journal of Organic Chemistry. 13: 2169-2178. PMID 29114324 DOI: 10.3762/Bjoc.13.217  0.331
2017 Kumar P, Rogge T, Yetra SR, Bechtholdt A, Clot E, Ackermann L. Mild Decarboxylative C-H Alkylation: Computational Insights for Solvent-Robust Ruthenium(II) Domino Manifold. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28901047 DOI: 10.1002/Chem.201703680  0.418
2017 Clough BA, Mellino S, Protchenko AV, Slusarczyk M, Stevenson LC, Blake MP, Xie B, Clot E, Mountford P. New Titanium Borylimido Compounds: Synthesis, Structure, and Bonding. Inorganic Chemistry. PMID 28836774 DOI: 10.1021/Acs.Inorgchem.7B01831  0.427
2017 Clough BA, Mellino S, Clot E, Mountford P. New scandium borylimido chemistry: synthesis, bonding and reactivity. Journal of the American Chemical Society. PMID 28704044 DOI: 10.1021/Jacs.7B05405  0.499
2017 Mellino S, Stevenson LC, Clot E, Mountford P. Reactions of Titanium Imides and Hydrazides with Boranes Organometallics. 36: 3329-3342. DOI: 10.1021/Acs.Organomet.7B00477  0.434
2016 Plundrich GT, Wadepohl H, Clot E, Gade LH. η(6) -Arene-Zirconium-PNP-Pincer Complexes: Mechanism of Their Hydrogenolytic Formation and Their Reactivity as Zirconium(II) Synthons. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27258989 DOI: 10.1002/Chem.201601213  0.469
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  0.667
2016 Wei D, Roisnel T, Darcel C, Clot E, Sortais J. Hydrogenation of Carbonyl Derivatives with a Well-Defined Rhenium Precatalyst Chemcatchem. 9: 80-83. DOI: 10.1002/Cctc.201601141  0.446
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  0.421
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  0.361
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 (Weinheim An Der Bergstrasse, Germany). 21: 13080-90. PMID 26220052 DOI: 10.1002/Chem.201501569  0.422
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  0.436
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  0.42
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  0.428
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  0.583
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  0.43
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  0.48
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  0.414
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 (Cambridge, England : 2003). 42: 776-81. PMID 23196912 DOI: 10.1039/C2Dt32274A  0.442
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  0.331
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  0.384
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  0.494
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  0.518
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  0.438
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  0.436
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  0.307
2011 Schwarz AD, Nova A, Clot E, Mountford P. Titanium tert-butoxyimido compounds. Inorganic Chemistry. 50: 12155-71. PMID 22043927 DOI: 10.1021/Ic201896Q  0.351
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  0.444
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  0.451
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  0.347
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  0.672
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  0.404
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  0.377
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  0.397
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  0.365
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  0.614
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  0.46
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  0.608
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  0.474
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  0.359
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  0.558
2010 Alcaraz G, Vendier L, Clot E, Sabo-Etienne S. Ruthenium bis(sigma-B-H) aminoborane complexes from dehydrogenation of amine-boranes: trapping of H(2)B-NH(2). Angewandte Chemie (International Ed. in English). 49: 918-20. PMID 20039239 DOI: 10.1002/Anie.200905970  0.369
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  0.358
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  0.305
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  0.44
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  0.59
2010 CLOT E, LEFORESTIER C, EISENSTEIN O, PELISSIER M. ChemInform Abstract: Dynamics on an ab initio Surface for Calculating JHH NMR Exchange Coupling. The Case of OsH3X(PH3)2 Cheminform. 26: no-no. DOI: 10.1002/chin.199525002  0.413
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  0.594
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  0.621
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  0.398
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  0.617
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 sigma-borane versus dihydroborate coordination. Angewandte Chemie (International Ed. in English). 48: 2964-8. PMID 19283798 DOI: 10.1002/Anie.200806178  0.433
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  0.307
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  0.305
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  0.406
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  0.398
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  0.409
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  0.552
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  0.59
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  0.605
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  0.431
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  0.411
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  0.425
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  0.405
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  0.544
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  0.404
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  0.601
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  0.358
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  0.591
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  0.5
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  0.548
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  0.514
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  0.636
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  0.462
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  0.351
2007 Crabtree R, Eisenstein O, Clot E. Hydrogen storage in azaheterocyclic organic liquids Acs National Meeting Book of Abstracts 0.382
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  0.438
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  0.596
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  0.649
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  0.343
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  0.339
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  0.445
2005 Alunni S, Bellachioma G, Clot E, Del Giacco T, 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. The Journal of Organic Chemistry. 70: 10688-92. PMID 16355986 DOI: 10.1021/Jo051324E  0.407
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  0.598
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  0.598
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  0.399
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  0.335
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  0.616
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  0.436
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  0.422
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  0.581
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  0.57
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  0.555
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  0.597
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/Om049701L  0.445
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  0.495
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  0.614
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  0.394
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 DOI: 10.1039/B210036N  0.688
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 Dalton Transactions. 4065-4074. DOI: 10.1039/B305064E  0.608
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  0.585
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  0.585
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.  0.496
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 DOI: 10.1039/B208327B  0.42
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  0.532
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  0.53
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  0.625
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  0.611
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  0.391
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 DOI: 10.1021/Cr980397D  0.55
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  0.731
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  0.699
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  0.705
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. DOI: 10.1039/A808601J  0.609
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  0.378
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. DOI: 10.1021/Om990649G  0.679
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. DOI: 10.1021/Om990301L  0.462
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  0.382
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  0.705
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. DOI: 10.1021/Om971109R  0.597
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. DOI: 10.1021/Om9709493  0.551
1998 Bosque R, Clot E, Fantacci S, Maseras F, Eisenstein O, Perutz RN, Renkema KB, Caulton KG. Inertness of the Aryl−F Bond toward Oxidative Addition to Osmium and Rhodium Complexes:  Thermodynamic or Kinetic Origin? Journal of the American Chemical Society. 120: 12634-12640. DOI: 10.1021/Ja9824573  0.656
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  0.652
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.  0.498
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  0.549
1995 Clot E, Leforestier C, Eisenstein O, Pelissier 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. DOI: 10.1021/Ja00111A018  0.535
1993 Eckert J, Jensen CM, Jones G, Clot E, Eisenstein O. An extremely low barrier to rotation of dihydrogen in the iridium complex IrClH2(.eta.2-H2)(PiPr3)2 Journal of the American Chemical Society. 115: 11056-11057. DOI: 10.1021/Ja00076A100  0.563
1993 Albinati A, Bakhmutov VI, Caulton KG, Clot E, Eckert J, Eisenstein O, Gusev DG, Grushin VV, Hauger BE. 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 Journal of the American Chemical Society. 115: 7300-7312. DOI: 10.1021/Ja00069A032  0.554
1992 Haakansson 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. DOI: 10.1021/Ic00052A013  0.52
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