INDO CALCULATIONS ON THE [BE3O(HCO2)3]+ ION CONFIGURATION

被引：10

作者：

SIPACHEV, VA

GLORIOZOV, IP

机构：

来源：

ORGANIC MASS SPECTROMETRY | 1979年 / 14卷 / 01期

关键词：

D O I：

10.1002/oms.1210140109

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

SCF–MO–LCAO–INDO calculations show that the total energy of the [Be3O(HCO2)3]+ ion, which is the base peak in the mass spectra of the beryllium μ4‐oxoformato complex, depends on the deviation of the ion configuration from planarity. The planar form is shown to have the lowest energy. The results obtained confirm the suggestion that steric interactions are the major factor governing fragmentations of beryllium μ4‐oxocarboxylato complexes under electron impact. Copyright © 1979 John Wiley & Sons, Ltd.

引用

页码：29 / 30

页数：2

共 4 条

[1]

GRIGOREV AI, 1978, ORG MASS SPECTROM, V13, P491

[2] APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP [J].