Insights into the decomposition of olefin metathesis precatalysts

Simone Manzini; Albert Poater; David J. Nelson; Luigi Cavallo; Alexandra M. Z. Slawin; Steven P. Nolan

doi:10.1002/anie.201403770

Insights into the decomposition of olefin metathesis precatalysts

Simone Manzini, Albert Poater, David J. Nelson, Luigi Cavallo, Alexandra M. Z. Slawin, Steven P. Nolan

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60 Scopus citations

Abstract

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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Original language	English (US)
Pages (from-to)	8995-8999
Number of pages	5
Journal	Angewandte Chemie International Edition
Volume	53
Issue number	34
DOIs	https://doi.org/10.1002/anie.201403770
State	Published - Jun 2 2014

ASJC Scopus subject areas

General Chemistry
Catalysis

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10.1002/anie.201403770

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title = "Insights into the decomposition of olefin metathesis precatalysts",

abstract = "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. {\textcopyright} 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.",

author = "Simone Manzini and Albert Poater and Nelson, {David J.} and Luigi Cavallo and Slawin, {Alexandra M. Z.} and Nolan, {Steven P.}",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Research leading to these results has received funding from the EU Seventh Framework Programme (FP7/2007-2013) under grant agreement noCP-FP 211468-2 EUMET. S.P.N. thanks the ERC for an Advanced Investigator Award {"}FUNCAT{"} and KAUST for support. S.P.N. is a Royal Society Wolfson Research Merit Award holder. L.C. thanks the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. A.P. thanks the Spanish MINECO for a Ramon y Cajal contract (RYC-2009-05226) and European Commission for a Career Integration Grant (CIG09-GA-2011-293900). We thank Umicore for gifts of materials and ligands.",

year = "2014",

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doi = "10.1002/anie.201403770",

language = "English (US)",

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T1 - Insights into the decomposition of olefin metathesis precatalysts

AU - Manzini, Simone

AU - Poater, Albert

AU - Nelson, David J.

AU - Cavallo, Luigi

AU - Slawin, Alexandra M. Z.

AU - Nolan, Steven P.

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: Research leading to these results has received funding from the EU Seventh Framework Programme (FP7/2007-2013) under grant agreement noCP-FP 211468-2 EUMET. S.P.N. thanks the ERC for an Advanced Investigator Award "FUNCAT" and KAUST for support. S.P.N. is a Royal Society Wolfson Research Merit Award holder. L.C. thanks the HPC team of Enea for using the ENEA-GRID and the HPC facilities CRESCO in Portici (Italy) for access to remarkable computational resources. A.P. thanks the Spanish MINECO for a Ramon y Cajal contract (RYC-2009-05226) and European Commission for a Career Integration Grant (CIG09-GA-2011-293900). We thank Umicore for gifts of materials and ligands.

PY - 2014/6/2

Y1 - 2014/6/2

N2 - 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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

AB - 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. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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JF - Angewandte Chemie International Edition

IS - 34

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Insights into the decomposition of olefin metathesis precatalysts

Abstract

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CCDC 993125: Experimental Crystal Structure Determination : Dichloro-bis(9-isobutyl-9-phosphabicyclo[3.3.1]nonane)-(3-phenyl-1H-inden-1-ylidene)-ruthenium

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Insights into the decomposition of olefin metathesis precatalysts

Abstract

ASJC Scopus subject areas

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Datasets

CCDC 993125: Experimental Crystal Structure Determination : Dichloro-bis(9-isobutyl-9-phosphabicyclo[3.3.1]nonane)-(3-phenyl-1H-inden-1-ylidene)-ruthenium

Cite this