POLYSILA ANALOGS OF AROMATIC HYDROCARBON IONS - STRUCTURES AND ENERGIES OF SI3H3(+), SI4H4(2+), AND SI5H5(-)

被引:30
作者
KORKIN, A
GLUKHOVTSEV, M
SCHLEYER, PV
机构
[1] Institut Für Organische Chemie Der, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, D-8520
关键词
D O I
10.1002/qua.560460114
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Silicon analogs of aromatic monocyclic ions, (SiH)3+ (4), (SiH)42+ (5), and (SiH)5- (6) have been studied ab initio at MP2(full)/6-31G*. The D3h structure Of Si3H3+ is the global minimum, whereas other two ions are nonplanar. The D2d structure of (SiH)42+ is less folded than the carbon analog and possesses a higher stabilization energy. Stabilization energies for the monocharged ions are diminished with respect to the corresponding carbons.
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页码:137 / 144
页数:8
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