摘要
本文利用CFF方法分析了Co（Ⅲ）配合物二齿配体中较少见的四员环构象的特征,并模拟了这个四员环在配位环境下构象变化的过程。标题配合物[Co（CH<sub>2</sub>CH<sub>2</sub>NH<sub>2</sub>）（NH<sub>2</sub>CH<sub>2</sub>CH<sub>2</sub>NH<sub>2</sub>）<sub>2</sub>]<sup>2+</sup>（图1）为光化学反应的中间产物,
The CFF method is used on the conformational analysis of the title complex.Eight possible isomers are treated, their minimum energies are given and equilibriumconformations are compared with recent crystal structure determination. Futhermorethe influences of the two five-membered chelate rings on the conformational changeof the four-membered ring from puckered form to planar form are discussed in de-tail and the reproduction of the initia1 stage in the formation of four-membered ringis attempted.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1990年第3期371-374,共4页
Acta Physico-Chimica Sinica
