DYNAMIC JAHN-TELLER EFFECTS IN CH4+ - LOCATION OF THE TRANSITION STRUCTURES FOR HYDROGEN SCRAMBLING AND INVERSION

被引:96
作者
PADDONROW, MN [1 ]
FOX, DJ [1 ]
POPLE, JA [1 ]
HOUK, KN [1 ]
PRATT, DW [1 ]
机构
[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15213
关键词
D O I
10.1021/ja00311a078
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:7696 / 7700
页数:5
相关论文
共 22 条
[1]   THEORETICAL INTERPRETATION OF COPPER FLUOSILICATE SPECTRUM [J].
ABRAGAM, A ;
PRYCE, MHL .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1950, 63 (364) :409-411
[2]  
BERSUKER IB, 1984, JAHNTELLER EFFECT VI
[3]  
BINKLEY JS, GAUSSIAN 82
[4]   THE CUPRIC ION IN A TRIGONAL CRYSTALLINE ELECTRIC FIELD [J].
BLEANEY, B ;
BOWERS, KD .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1952, 65 (392) :667-668
[5]   PARAMAGNETIC RESONANCE IN COPPER FLUOSILICATE [J].
BLEANEY, B ;
INGRAM, DJE .
PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1950, 63 (364) :408-409
[6]  
BOUMA WJ, 1983, ISR J CHEM, V23, P21
[7]   THE SPECIFICATION OF ASYMMETRIC CONFIGURATION IN ORGANIC CHEMISTRY [J].
CAHN, RS ;
INGOLD, CK ;
PRELOG, V .
EXPERIENTIA, 1956, 12 (03) :81-94
[8]   TUNNELLING ROTATION RATE OF A WEAKLY HINDERED METHYL GROUP [J].
CLOUGH, S ;
POLDY, F .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1973, 6 (11) :1953-1964
[9]   ABINITIO CONFIGURATION-INTERACTION CALCULATIONS OF THE HYPERFINE-STRUCTURE IN SMALL RADICALS [J].
FELLER, D ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (03) :1006-1017
[10]  
HAM FS, 1972, ELECTRON PARAMAGNETI, P1