Structure Analysis of a Transient Triplet Carbene Trapped in a Crystal
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- 作者：Masaki Kawano ; Katsuyuki Hirai ; Hideo Tomioka ; and Yuji Ohashi
- 刊名：Journal of the American Chemical Society
- 出版年：2001
- 出版时间：July 18, 2001
- 年：2001
- 卷：123
- 期：28
- 页码：6904 - 6908
- 全文大小：131K
- 年卷期：v.123,no.28(July 18, 2001)
- ISSN：1520-5126
文摘
A light-induced transient bis(2,4,6-trichlorophenyl)carbene trapped in a yield of ca. 20% in thecrystal of the precursor diazomethane was characterized by X-ray crystallography at low temperatures. Themost interesting geometrical parameters are the carbenic angle 
and the bond distances between the carbeniccarbon and the phenyl carbons. The obtained is 142(2)
, while the distances are 1.437(15) and 1.423(16) Å,respectively. These values are significantly different from the corresponding values for the precursordiazomethane (127.1(1) and 1.477(1) and 1.480(1) Å, respectively). On the basis of IR spectroscopy andtheoretical calculations, the carbene is judged to be in the triplet ground state.
and the bond distances between the carbeniccarbon and the phenyl carbons. The obtained is 142(2), while the distances are 1.437(15) and 1.423(16) Å,respectively. These values are significantly different from the corresponding values for the precursordiazomethane (127.1(1) and 1.477(1) and 1.480(1) Å, respectively). On the basis of IR spectroscopy andtheoretical calculations, the carbene is judged to be in the triplet ground state.