Molecular structure of 1,1,8,8-tetramethyl-1,8-digermacyclotetradecane: the first 14-membered germacycles
Molecular structure of 1,1,8,8-tetramethyl-1,8-digermacyclotetradecane: the first 14-membered germacycles
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1,1,8,8-四甲基-1,8-二甲环十四烷的分子结构：第一个14元环
DOI：
10.1039/p29930002389
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发表时间：
1994
期刊：
影响因子：
--
通讯作者：
Y. Takeuchi
中科院分区：
文献类型：
--
作者：
K. Ogawa;S. Aoyagi;Y. Takeuchi
X射线晶体学分析表明，1，1，8，8-四甲基-1，8-二锗环十四烷在结晶状态下只以[3434]构象存在，锗原子位于角位。对1，8-二锗杂环十四烷和锗杂环己烷的分子力学计算（MM 2）表明，小的C-Ge-C键角和C-Ge-C-C二面角是14- 6元环锗杂环的特征。当C-Ge-C-C部分处于gauche构象时，这种趋势也被预期用于无环系统。
An X-ray crystallographic analysis indicated that 1,1,8,8-tetramethyl-1,8-digermacyclotetradecane exists exclusively as the [3434] conformer with germanium atoms at corner sites in the crystalline state. Molecular mechanics calculations (MM2) of 1,8-digermacyclotetradecane and germacyclohexanes showed that small C–Ge–C bond angle and C–Ge–C–C dihedral angle are characteristic of germacycles ranging from 14-membered to 6-membered rings. This tendency is also expected for the acyclic system when the C–Ge–C–C moiety is in the gauche conformation.