Why is the linking C-C bond in tetrahedranyltetrahedrane so short?
Why is the linking C-C bond in tetrahedranyltetrahedrane so short?
复制标题
为什么四面体四面体中的 C-C 连接键如此短？
作者：
Y. Mo
[结构：见正文]。用块局域波函数方法研究了四面体中C-C键的起源。计算结果表明，两个四面体基团间的邻位超共轭作用比丁二烯中的共轭作用强，若不存在超共轭作用，则键距为1.491因此，杂化模式和超共轭相互作用都有助于缩短四面体基四面体中的中心C-C键。
[structure: see text]. The block-localized wave function (BLW) method has been employed to probe the origin of the very short linking C-C bond (1.436 A) in tetrahedranyltetrahedrane. Computations show that the vicinal hyperconjugative interactions between the two tetrahedranyl groups is stronger than the conjugation in butadiene, and if there were no hyperconjugation effect, the bond distance would be 1.491 A. Thus, both the hybridization mode and hyperconjugative interactions contribute to the shortening of the central C-C bond in tetrahedranyltetrahedrane.
六(三甲基甲硅烷基)四面体四面体
DOI：
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发表时间：
2005
期刊：
Angewandte Chemie, International Edition 44・36
影响因子：
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作者：
Iwamoto;Y.;Masanobu Tanaka
通讯作者：
Masanobu Tanaka