STRUCTURE AND STABILITY OF AMMONIUM-SULFATE AND GUANIDIUM-SULFATE COMPLEX

Authors
FANG DC FABIAN P SZEKELY Z FU XY TANG TH CSIZMADIA IG
Citation
Dc. Fang et al., STRUCTURE AND STABILITY OF AMMONIUM-SULFATE AND GUANIDIUM-SULFATE COMPLEX, Journal of molecular structure. Theochem, 430, 1998, pp. 161-170
Citations number
24
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
430
Year of publication
1998
Pages
161 - 170
Database
ISI
SICI code
0166-1280(1998)430:<161:SASOAA>2.0.ZU;2-9
Abstract
Ab initio (HF/6-31G* and B3LYP/6-31 + + G**) methods have been used t o study the stability and structure of complexes between CH3SO3- and C H3NH3+ or C(NH2)(3)(+). Results show that no hydrogen jump is involved in the complex formations, which is different from previous work stud ying complexes between CH3COO- and CH3NH3+, In addition, we have studi ed complexes between CH3SO3- and HC(NH2)(3)(+) or +H3NC(NH2)3, all of which have a cage structure, (C) 1998 Elsevier Science B.V.