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 journalArticle

40 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.

LanguageEnglish
Number of pages6
JournalAngewandte Chemie International Edition
Early online date2 Jun 2014
DOIs
Publication statusPublished - 2 Jun 2014
Externally publishedYes

Fingerprint

Alkenes
Olefins
Alcohols
Decomposition
Potential energy surfaces
2-Propanol
Density functional theory

Keywords

  • density functional calculations
  • hydride ligands
  • metathesis
  • reaction mechanisms
  • ruthenium

Cite this

Manzini, Simone ; Poater, Albert ; Nelson, David J ; Cavallo, Luigi ; Slawin, Alexandra M Z ; Nolan, Steven P. / Insights into the decomposition of olefin metathesis precatalysts. In: Angewandte Chemie International Edition. 2014.
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Insights into the decomposition of olefin metathesis precatalysts. / Manzini, Simone; Poater, Albert; Nelson, David J; Cavallo, Luigi; Slawin, Alexandra M Z; Nolan, Steven P.

In: Angewandte Chemie International Edition, 02.06.2014.

Research output: Contribution to journalArticle

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AU - Poater, Albert

AU - Nelson, David J

AU - Cavallo, Luigi

AU - Slawin, Alexandra M Z

AU - Nolan, Steven P

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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

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