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

Research output: Contribution to journalArticle

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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)42-CH 2PMe2)H] is explored by performing detailed DFT calculations. The real active complex was found to be [W(PMe3) 22-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 languageEnglish
Pages (from-to)783-787
Number of pages5
JournalChemistry - A European Journal
Volume18
Issue number3
DOIs
Publication statusPublished - Jan 16 2012

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Quinoxalines
Tungsten
Discrete Fourier transforms
Hydrides

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

Mechanistic insight into the cleavage of an aromatic C-C bond by tungsten. / Li, Jun; Yoshizawa, Kazunari.

In: Chemistry - A European Journal, Vol. 18, No. 3, 16.01.2012, p. 783-787.

Research output: Contribution to journalArticle

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