MNDO AND ABINITIO STUDY OF THE MECHANISM OF ORGANO-LITHIUM AMINATION BY LITHIUM ALKOXYAMIDES

被引：28

作者：

MCKEE, ML

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1985年 / 107卷 / 04期

关键词：

D O I：

10.1021/ja00290a021

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：859 / 864

页数：6

共 22 条

[1] ELECTRON-DENSITY SUPERPOSITION ERRORS IN ETHYNYLLITHIUM [J].

BACHRACH, SM ;

STREITWIESER, A .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (08) :2283-2287

[2] MECHANISM OF AMINATION OF ORGANOLITHIUMS BY ALKOXYAMINES - USE OF A GEOMETRICAL TEST FOR DISPLACEMENTS ON HETEROATOMS [J].

BEAK, P ;

BASHA, A ;

KOKKO, B .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (05) :1511-1512

[3] 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

[4] NITRENOIDS LIRN-OR1 IN ELECTROPHILIC AMINATION REACTIONS OF ORGANO-LITHIUM COMPOUNDS - A THEORETICAL-STUDY [J].

BOCHE, G ;

WAGNER, HU .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1984, (23) :1591-1592

[5]

CHADRASEKHAR J, 1982, J AM CHEM SOC, V104, P3651

[6] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[7] STRUCTURES OF ALPHA-LITHIOMETHANOL AND ALPHA-LITHIOMETHYLAMINE - AN ABINITIO STUDY [J].

CLARK, T ;

SCHLEYER, PV ;

HOUK, KN ;

RONDAN, NG .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (12) :579-581

[8] A MOLECULAR-ORBITAL STUDY OF SOME LITHIUM ION COMPLEXES [J].

DELBENE, JE ;

FRISCH, MJ ;

RAGHAVACHARI, K ;

POPLE, JA ;

SCHLEYER, PV .

JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (01) :73-78

[9] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[10] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].

FRANCL, MM ;

PIETRO, WJ ;

HEHRE, WJ ;

BINKLEY, JS ;

GORDON, MS ;

DEFREES, DJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665

← 1 2 3 →