About the structure of CH5 + and structural variations in related systems

被引：7
|
作者：
Varga, Zoltan [1 ,2 ]
机构：
[1] Budapest Univ Technol & Econ, Dept Inorgan & Analyt Chem, Szt Gellert Ter 4, H-1111 Budapest, Hungary
[2] Univ Minnesota, Supercomp Inst, Dept Chem, Chem Theory Ctr, Minneapolis, MN 55455 USA
来源：
STRUCTURAL CHEMISTRY | 2017年 / 28卷 / 02期
关键词：
Carbocation CH5+; VSEPR model; Structural variations; Five-coordinated systems of first- and second-row elements; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; STABILITY; CHEMISTRY; GEOMETRY; STORY; CH4+;
D O I：
10.1007/s11224-016-0850-6
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The carbocation CH5 (+) has a unique structure of C (s) symmetry with three 2-center-2-electron bonds and one 3-center-2-electron bond. This ground-state geometry is different from the prediction by the VSEPR model. We have investigated this carbocation along with related systems, among them, BH5, BLi5, CLi5 (+), NH5 (2+), NLi5 (2+), to seek possible trends and regularities in the variations of their ground-state geometries.
引用
收藏
页码：297 / 301
页数：5
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