Insights into the Schrock 'chop-chop' reaction gained from density functional theory and preparation and structure of W2(μ-PhCCPh)(SC6H4-2-Me)6

被引：5

作者：

Chisholm, MH

Davidson, ER

Pink, M

Quinlan, KB

机构：

[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA

[2] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA

[3] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA

来源：

CHEMICAL COMMUNICATIONS | 2002年 / 23期

关键词：

D O I：

10.1039/b208819c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computations employing density functional theory on the reactions between ethyne and the model compounds (HE)(3)M=M(EH)(3), where M = Mo and W and E = O and S, predict that the alkyne adducts M-2(mu-C2H2)(EH)(6) are thermodynamically favored with respect to the metathesis products HC=M( EH) 3 except when M = W and E = O; the reaction between ((BuO)-Bu-t)(3)W=CPh and 2-MeC6H4SH ( > 3 equiv.) yields W-2(mu-PhCCPh)(SC6H4-2-Me)(6) consistent with expectations based on the calculations.

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页码：2770 / 2771

页数：2

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