NH3 AND PH3 MOLECULAR QUADRUPOLE-MOMENTS AND THE SIGNS OF MOLECULAR G-VALUES

被引：3

作者：

COMBARIZA, J

SALZMAN, WR

KUKOLICH, SG

机构：

[1] Department of Chemistry, The University of Arizona, Tucson

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 167卷 / 06期

关键词：

D O I：

10.1016/0009-2614(90)85478-U

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：

Molecular Zeeman effect data for NH3 and PH3 was reviewed and reanalyzed to obtain molecular quadrupole moments. Since the signs of molecular g-values were not directly measured, molecular quadrupole moments were also calculated using ab initio SCF programs to remove ambiguities in the signs of g-values. For NH3, Qcc (measured) = -3.4(4) buckingham and Qcc (calculated) = -2.8 buckingham. For PH3, Qcc (measured) = -2.3(12) buckingham and Qcc (calculated) = -2.4 buckingham. These values support positive g-values for NH3 (gaa=gbb=0.568(2), gcc=0.500(2)), and for PH3 gaa=gbb=-0.325(9), and gcc=0.011(1). © 1990.

引用

页码：607 / 608

页数：2

共 18 条

[1] VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].