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

Research output: Contribution to journal › Article › peer-review

60 Citations (Scopus)

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 η(5) -(3-phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies.

Original language	English
Number of pages	6
Journal	Angewandte Chemie International Edition
Early online date	2 Jun 2014
DOIs	https://doi.org/10.1002/anie.201403770
Publication status	Published - 2 Jun 2014
Externally published	Yes

Keywords

density functional calculations
hydride ligands
metathesis
reaction mechanisms
ruthenium

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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 η(5) -(3-phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies.",

keywords = "density functional calculations, hydride ligands, metathesis, reaction mechanisms, ruthenium",

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

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

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day = "2",

doi = "10.1002/anie.201403770",

language = "English",

journal = "Angewandte Chemie International Edition",

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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

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 η(5) -(3-phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies.

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 η(5) -(3-phenyl)indenyl products. The potential-energy surfaces for the formation of the latter species have been probed using density functional theory studies.

KW - density functional calculations

KW - hydride ligands

KW - metathesis

KW - reaction mechanisms

KW - ruthenium

U2 - 10.1002/anie.201403770

DO - 10.1002/anie.201403770

M3 - Article

C2 - 24891114

SN - 1521-3773

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

ER -

Insights into the decomposition of olefin metathesis precatalysts

Abstract

Keywords

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