MNDO-EFFECTIVE CHARGE MODEL STUDY OF SOLVENT EFFECT ON THE POTENTIAL-ENERGY SURFACE OF THE SN2 REACTION

被引：71

作者：

KOZAKI, T ^{[1
]}

MORIHASHI, K ^{[1
]}

KIKUCHI, O ^{[1
]}

机构：

[1] UNIV TSUKUBA,DEPT CHEM,SAKURA,IBARAKI 305,JAPAN

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1989年 / 111卷 / 05期

关键词：

D O I：

10.1021/ja00187a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1547 / 1552

页数：6

共 58 条

[1] EVALUATION OF THERMODYNAMIC FUNCTIONS FROM AQUEOUS SOLUBILITY MEASUREMENTS [J].

ALEXANDER, DM ;

HILL, DJT ;

WHITE, LR .

AUSTRALIAN JOURNAL OF CHEMISTRY, 1971, 24 (06) :1143-+

[2]

[Anonymous], MOL INTERACTIONS

[3] 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

[4]

BATHGATE RH, 1956, J CHEM SOC, P2642

[5] EXPERIMENTAL-STUDY OF THE GAS-PHASE KINETICS OF REACTIONS WITH HYDRATED H3O+ IONS (N=1-3) AT 298-K [J].

BOHME, DK ;

MACKAY, GI ;

TANNER, SD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (14) :3724-3730

[6] GAS-PHASE MEASUREMENTS OF THE INFLUENCE OF STEPWISE SOLVATION ON THE KINETICS OF NUCLEOPHILIC DISPLACEMENT-REACTIONS WITH CH3CL AND CH3BR AT ROOM-TEMPERATURE [J].

BOHME, DK ;

RAKSIT, AB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (12) :3447-3452

[7] ACTIVATION-ENERGIES IN NUCLEOPHILIC DISPLACEMENT-REACTIONS MEASURED AT 296 DEGREES K IN-VACUO [J].

BOHME, DK ;

MACKAY, GI ;

PAYZANT, JD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (12) :4027-4028

[8] BRIDGING THE GAP BETWEEN THE GAS-PHASE AND SOLUTION - TRANSITION IN THE KINETICS OF NUCLEOPHILIC DISPLACEMENT-REACTIONS [J].

BOHME, DK ;

MACKAY, GI .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (04) :978-979

[9] Volumes and hydration warmth of ions [J].

Born, M .

ZEITSCHRIFT FUR PHYSIK, 1920, 1 :45-48

[10]

Burshtein K. Ya., 1987, J MOL STRUC-THEOCHEM, V153, P195

← 1 2 3 4 5 6 →