THEORETICAL-EXAMINATION OF THE SN2 REACTION INVOLVING CHLORIDE-ION AND METHYL-CHLORIDE IN THE GAS-PHASE AND AQUEOUS-SOLUTION

被引:460
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CHANDRASEKHAR, J
SMITH, SF
JORGENSEN, WL
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D O I
10.1021/ja00287a028
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O6 [化学];
学科分类号
0703 ;
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页码:154 / 163
页数:10
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共 75 条
[1]  
ABRAHAM MH, 1973, J CHEM SOC P2, P1839
[2]  
ALBERY WJ, 1978, ADV PHYS ORG CHEM, V16, P87
[3]   EVALUATION OF THERMODYNAMIC FUNCTIONS FROM AQUEOUS SOLUBILITY MEASUREMENTS [J].
ALEXANDER, DM ;
HILL, DJT ;
WHITE, LR .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1971, 24 (06) :1143-+
[4]   HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS [J].
ARSHADI, M ;
YAMDAGNI, R ;
KEBARLE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1475-&
[5]   INTERPRETATION OF CHARGE AND ENERGY CHANGES IN 2 NUCLEOPHILIC DISPLACEMENT REACTIONS [J].
BADER, RFW ;
DUKE, AJ ;
MESSER, RR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (23) :7715-7721
[6]   THE KINETICS OF CERTAIN IONIC EXCHANGE REACTIONS OF THE 4 METHYL HALIDES IN AQUEOUS SOLUTION [J].
BATHGATE, RH ;
MOELWYNHUGHES, EA .
JOURNAL OF THE CHEMICAL SOCIETY, 1959, (SEP-O) :2642-2648
[7]   MOLECULAR-ORBITAL DESCRIPTION OF SN2 REACTIONS AT SILICON CENTERS [J].
BAYBUTT, P .
MOLECULAR PHYSICS, 1975, 29 (02) :389-403
[8]   SODIUM-CHLORIDE ION-PAIR INTERACTION IN WATER - COMPUTER-SIMULATION [J].
BERKOWITZ, M ;
KARIM, OA ;
MCCAMMON, JA ;
ROSSKY, PJ .
CHEMICAL PHYSICS LETTERS, 1984, 105 (06) :577-580
[9]   AB INITIO CALCULATIONS ON A TYPICAL SN2REACTION - ELECTRONIC STRUCTURE OF METHYL FLUORIDE AND OF TRANSITION STATE (FCH3F)- [J].
BERTHIER, G ;
DAVID, DJ ;
VEILLARD, A .
THEORETICA CHIMICA ACTA, 1969, 14 (04) :329-&
[10]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947