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.

引用

页码：161 / 170

页数：10

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