An ab Initio Study of Tetrathiosquaric Acid

被引：0
|
作者：
HUANG Zun-Xing
ZHOU Li-Xin
TIAN An-MinZHANG Yong-Fan
LI Jun-Qian(Department of Chemistry
机构：
来源：
结构化学 | 1997年 / 05期
关键词：
<Keywords>abinitio; tetrathiosquaricacid; isodesmicreactionprocedure; Vibrationalfrequency;
D O I：
10.14102/j.cnki.0254-5861.1997.05.017
中图分类号：
O621 [有机化学一般性问题];
学科分类号：
摘要：
Results of ab initio SCF calculations of tetrathiosquaric acid (3, 4-dithiohydroxy-3-cyclobuten-1, 2-dithione) are reported. The ZZ isomer is found to bethe most stable among the three isomers. An isodesmic energy analysis has been carriedout at the HF 6-31G
引用
收藏
页码：407 / 412
页数：6
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