GEOMETRY AND ELECTRONIC-STRUCTURE OF INTIMATE AND SOLVENT-SEPARATED ION-PAIRS OF FLUOROMETHANE IN WATER

被引:32
作者
CREMASCHI, P
GAMBA, A
SIMONETTA, M
机构
[1] UNIV MILAN, CTR CNR, I-20133 MILAN, ITALY
[2] UNIV MILAN, INST PHYS CHEM, I-20133 MILAN, ITALY
来源
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1977年 / 02期
关键词
D O I
10.1039/p29770000162
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:162 / 166
页数:5
相关论文
共 14 条
[1]   INFLUENCE OF SOLVATION ON CALCULATED ACTIVATION-ENERGY FOR REACTION CH3F+F- [J].
CREMASCHI, P ;
SIMONETT.M ;
GAMBA, A .
THEORETICA CHIMICA ACTA, 1972, 25 (03) :237-+
[2]   INFLUENCE OF SOLVATION ON PI]-N AND PI]-PI TRANSITION ENERGIES IN MOLECULES CONTAINING AZA OR CARBONYL GROUPS [J].
CREMASCHI, P ;
GAMBA, A ;
SIMONETTA, M .
THEORETICA CHIMICA ACTA, 1973, 31 (02) :155-169
[3]   GEOMETRICAL AND ELECTRONIC-STRUCTURE OF HYDRATED CH5+ AND CH5- [J].
CREMASCHI, P ;
SIMONETTA, M .
THEORETICA CHIMICA ACTA, 1975, 37 (04) :341-344
[4]   BARRIER TO INTERNAL-ROTATION IN METHYLAMMONIUM ION [J].
CREMASCHI, P ;
SIMONETTA, M .
JOURNAL OF MOLECULAR STRUCTURE, 1975, 29 (01) :39-45
[5]   CHEMICAL STATICS OF THE METHYL HALIDES IN WATER [J].
GLEW, DN ;
MOELWYNHUGHES, EA .
DISCUSSIONS OF THE FARADAY SOCIETY, 1953, (15) :150-161
[6]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .8. SMALL CLUSTERS OF WATER MOLECULES SURROUNDING LI+, NA+, K+, F-, AND CL- IONS [J].
KISTENMACHER, H ;
POPKIE, H ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :799-815
[7]   MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS [J].
LATHAN, WA ;
HEHRE, WJ ;
CURTISS, LA ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) :6377-+
[8]   GAS-PHASE SOLVATION OF AMMONIUM ION BY NH3 AND H2O AND STABILITIES OF MIXED CLUSTERS NH4+(NH3)N(H2O)W [J].
PAYZANT, JD ;
CUNNINGHAM, AJ ;
KEBARLE, P .
CANADIAN JOURNAL OF CHEMISTRY, 1973, 51 (19) :3242-3249
[9]  
POPLE JA, 1970, APPROXIMATE MOLECULA
[10]   AB-INITIO INVESTIGATION OF ENERGY AND ELECTRONIC EVOLUTION UPON PROGRESSIVE SOLVATION OF AMMONIUM-IONS [J].
PULLMAN, A ;
ARMBRUSTER, AM .
CHEMICAL PHYSICS LETTERS, 1975, 36 (05) :558-563