Theoretical Study of Hypervalent Bonds in 1,6-Diaza-1,6-dihydro- and 1,6-Dihydro-1,6-dioxapentalene Systems with a Heteroatom X at 6a Position (X = 14-16 Group Atoms)
Theoretical Study of Hypervalent Bonds in 1,6-Diaza-1,6-dihydro- and 1,6-Dihydro-1,6-dioxapentalene Systems with a Heteroatom X at 6a Position (X = 14-16 Group Atoms)
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6a 位杂原子 X（X = 14-16 族原子）的 1,6-二氮杂-1,6-二氢和 1,6-二氢-1,6-二氧杂戊二烯体系中超价键的理论研究
DOI：
10.1246/bcsj.20100027
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发表时间：
2010
影响因子：
4
通讯作者：
H. Nakai
中科院分区：
文献类型：
--
作者：
Teruo Atsumi;T. Abe;K. Akiba;H. Nakai
本研究从理论上研究了以戊二烯为骨架的超价键体系。用密度泛函理论方法对几何构型和能量学进行了计算。
The present study theoretically investigated hypervalent bonding systems with the skeleton of pentalene. Geometries and energetics were examined by density functional theory calculations with tripl...