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Insights into the decomposition of olefin metathesis precatalysts

Aquest mateix article està publicat a l’edició alemanya d’’Angewandte Chemie’ (ISSN 0044-8249, EISSN 1521-3757), 2014, vol. 126, núm. 34, p. 9141–9145. DOI http://dx.doi.org/10.1002/ange.201403770

The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2)(PCy3)2] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η5-(3- phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies

Wiley-VCH Verlag

Manager: Ministerio de Ciencia e Innovación (Espanya)
Author: Manzini, Simone
Poater Teixidor, Albert
Nelson, David J.
Cavallo, Luigi
Slawin, Alexandra M. Z.
Nolan, Steven P.
Abstract: Aquest mateix article està publicat a l’edició alemanya d’’Angewandte Chemie’ (ISSN 0044-8249, EISSN 1521-3757), 2014, vol. 126, núm. 34, p. 9141–9145. DOI http://dx.doi.org/10.1002/ange.201403770
The decomposition of a series of benzylidene, methylidene, and 3-phenylindenylidene complexes has been probed in alcohol solution in the presence of base. Tricyclohexylphosphane-containing precatalysts are shown to yield [RuCl(H)(H2)(PCy3)2] in isopropyl alcohol solutions, while 3-phenylindenylidene complexes lead to η5-(3- phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies
Format: application/pdf
Document access: http://hdl.handle.net/10256/10348
Language: eng
Publisher: Wiley-VCH Verlag
Collection: info:eu-repo/semantics/altIdentifier/doi/10.1002/anie.201403770
info:eu-repo/semantics/altIdentifier/issn/1433-7851
info:eu-repo/semantics/altIdentifier/eissn/1521-3773
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
Rights: Tots els drets reservats
Subject: Funcional de densitat, Teoria del
Density functionals
Lligands
Ligands
Metàtesi (Química)
Metathesis (Chemistry)
Mecanismes de reacció (Química)
Reaction mechanisms (Chemistry)
Ruteni
Ruthenium
Title: Insights into the decomposition of olefin metathesis precatalysts
Type: info:eu-repo/semantics/article
Repository: DUGiDocs

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