Carbene Rotamer Switching Explains the Reverse Trans Effect in Forming the Grubbs Second-Generation Olefin Metathesis Catalyst

As a long-standing puzzle, experimental observations reveal faster organophosphine dissociation in the olefin metathesis by Grubbs’s first-generation precatalyst (Gen I) than by the second-generation precatalyst (Gen II), but Gen I shows less catalytic activity. Here we show by electronic structure...

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Veröffentlicht in:	Organometallics 2011-08, Vol.30 (15), p.4196-4200
Hauptverfasser:	Yang, Hsiao-Ching, Huang, Yen-Chin, Lan, Yi-Kang, Luh, Tien-Yau, Zhao, Yan, Truhlar, Donald G
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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