Ítem
| Ministerio de Ciencia e Innovación (Espanya) | |
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Manzini, Simone
Poater Teixidor, Albert Nelson, David J. Cavallo, Luigi Slawin, Alexandra M. Z. Nolan, Steven P. |
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| 2014 | |
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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 |
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| application/pdf | |
| http://hdl.handle.net/10256/10348 | |
| eng | |
| Wiley-VCH Verlag | |
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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 |
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| Tots els drets reservats | |
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Funcional de densitat, Teoria del
Density functionals Lligands Ligands Metàtesi (Química) Metathesis (Chemistry) Mecanismes de reacció (Química) Reaction mechanisms (Chemistry) Ruteni Ruthenium |
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| Insights into the decomposition of olefin metathesis precatalysts | |
| info:eu-repo/semantics/article | |
| DUGiDocs |
