Mechanistic insight into the cleavage of an aromatic C-C bond by tungsten

Jun Li; Kazunari Yoshizawa

doi:10.1002/chem.201101899

Mechanistic insight into the cleavage of an aromatic C-C bond by tungsten

Jun Li, Kazunari Yoshizawa

Department of Fundamental Organic Chemistry

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

8 Citations (Scopus)

Abstract

The pathway for the cleavage of an aromatic C-C bond in quinoxaline by a tungsten(II) complex [W(PMe₃)₄(η²-CH ₂PMe₂)H] is explored by performing detailed DFT calculations. The real active complex was found to be [W(PMe₃) ₂(η²-CH₂PMe₂)H] rather than [W(PMe₃)₄]. The key step in the whole reaction is the reductive elimination of two hydrides that are located originally on quinoxaline (see scheme).

Original language	English
Pages (from-to)	783-787
Number of pages	5
Journal	Chemistry - A European Journal
Volume	18
Issue number	3
DOIs	https://doi.org/10.1002/chem.201101899
Publication status	Published - Jan 16 2012

All Science Journal Classification (ASJC) codes

Chemistry(all)
Catalysis
Organic Chemistry

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abstract = "The pathway for the cleavage of an aromatic C-C bond in quinoxaline by a tungsten(II) complex [W(PMe3)4(η2-CH 2PMe2)H] is explored by performing detailed DFT calculations. The real active complex was found to be [W(PMe3) 2(η2-CH2PMe2)H] rather than [W(PMe3)4]. The key step in the whole reaction is the reductive elimination of two hydrides that are located originally on quinoxaline (see scheme).",

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AB - The pathway for the cleavage of an aromatic C-C bond in quinoxaline by a tungsten(II) complex [W(PMe3)4(η2-CH 2PMe2)H] is explored by performing detailed DFT calculations. The real active complex was found to be [W(PMe3) 2(η2-CH2PMe2)H] rather than [W(PMe3)4]. The key step in the whole reaction is the reductive elimination of two hydrides that are located originally on quinoxaline (see scheme).

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Mechanistic insight into the cleavage of an aromatic C-C bond by tungsten

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