Quantitative analysis of bonding in P4 clusters

被引：13
|
作者：
Tsirelson, V. G. [1 ]
Tarasova, N. P. [1 ]
Bobrov, M. F. [1 ]
Smetannikov, Yu. V. [1 ]
机构：
[1] DI Mendeleyev Univ Chem Technol Russia, Moscow 125047, Russia
来源：
HETEROATOM CHEMISTRY | 2006年 / 17卷 / 06期
关键词：
D O I：
10.1002/hc.20279
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Quantum-topological analysis based on the nonempirical quantum-chemical calculations of P-4 clusters in the different electronic states has been done. Changes in the geometric parameters for the different electronic states of the equilibrium phosphorus clusters and structures with the breaking bonds are traced. The P-P bonds are quantitatively described. (c) 2006 Wiley Periodicals, Inc.
引用
收藏
页码：572 / 578
页数：7
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