Cl-35 NQR of the N-Cl bond and the modified Townes-Daily theory

被引：3
作者：
Dolgushin, GV
Lazarev, IM
Nikitin, PA
Larina, LI
机构：
[1] Irkutsk Institute of Organic Chemistry, Siberian Division, Academy of Sciences of Russia, 664033 Irkutsk
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1996年 / 51卷 / 5-6期
关键词：
nuclear quadrupole resonance; modified Townes-Daily equation; N-Cl bond; tautomers of N-chlorobenzotriazole;
D O I：
10.1515/zna-1996-5-630
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 modified Townes-Daily equation is shown to he better than the original one for frequencies of compounds having N-Cl bonds. Of the three semi-empirical methods AM 1, MNDO, PM 3, the first is preferable. The asymmetry parameters for the same compounds have been evaluated. The Cl-35 NQR frequencies of two tautomers of N-chlorobenzotriazole are compared.
引用
收藏
页码：544 / 548
页数：5
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