THE STRUCTURES AND VIBRATIONAL FREQUENCIES OF THE NNO ANALOGS NPO AND PNO AND THEIR PROTONATED FORMS

被引:22
作者
DAVY, RD
SCHAEFER, HF
机构
[1] Center for Computational Quantum Chemistry, University of Georgia, Athens
关键词
D O I
10.1063/1.458519
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
The surprising relative stability of PNO compared to NPO cannot be explained by a single configuration molecular orbital (MO) model. However, the MO model can be used to understand the pattern of stability among the protonated isomers HPNO+, PNOH+, HNPO+, and NPOH +, and perhaps to explain important aspects of the general chemistry of multiple bonds between first and second row atoms. © 1990 American Institute of Physics.
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页码:5417 / 5421
页数:5
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