摘要:

AbstractCoordinations of conjugated 1,3‐dienes to a transition metal had been considered to occur only in as‐cis geometry, until the recent discovery of Cp2Zr(s‐trans‐diene), diene = butadiene and trans, trans‐1,4‐diphenylbutadiene. A molecular orbital analysis of metal‐butadiene interactions is carried out, for the specific cases of Fe(CO)3(butadiene) and Cp2Zr(butadiene), to discern the electronic origin of the novel transoid geometry. Stability of thes‐cis ands‐trans structures of Cp2Zr(butadiene) is found to be well balanced and we show how the geometrical choice is affected by substitu

ISSN:0021-2148    

DOI:10.1002/ijch.198300021

出版商:WILEY‐VCH Verlag    

年代:1983

数据来源: WILEY