Structure and stability of ammonium-sulfate and guanidium-sulfate complex

被引：0
|
作者：
Fang, DC [1 ]
Fabian, P
Szekely, Z
Fu, XY
Tang, TH
Csizmadia, IG
机构：
[1] Beijing Normal Univ, Dept Chem, Beijing 100875, Peoples R China
[2] Univ Toronto, Dept Chem, Toronto, ON M5S 3H6, Canada
[3] Agr Biotechnol Ctr, Inst Biochem, H-2101 Godollo, Hungary
[4] Albert Szent Gyorgyi Med Univ, Dept Med Chem, H-6720 Szeged, Hungary
[5] McMaster Univ, Dept Chem, Hamilton, ON L0S 4M1, Canada
[6] Tianjin Normal Univ, Dept Chem, Tianjin 300074, Peoples R China
来源：
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE | 1998年 / 430卷
关键词：
ab initio computations; salt bridge and H-bonded complexes; arginine and lysine side chain models; binding R-SO3- to bio-molecules;
D O I：
暂无
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：
Ab initio (HF/6-31G** and B3LYP/6-31 + + G**) methods have been used to study the stability and structure of complexes between CH3SO3- and CH3NH3+ or C(NH2)(3)(+). Results show that no hydrogen jump is involved in the complex formations, which is different from previous work studying complexes between CH3COO- and CH3NH3+, In addition, we have studied complexes between CH3SO3- and HC(NH2)(3)(+) or +H3NC(NH2)3, all of which have a cage structure, (C) 1998 Elsevier Science B.V.
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页码：161 / 170
页数：10
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