THE 1,2-HYDROGEN REARRANGEMENT OF METHYLCHLOROCARBENE - CONTRIBUTION OF QUANTUM-MECHANICAL TUNNELING

被引:48
作者
DIX, EJ [1 ]
HERMAN, MS [1 ]
GOODMAN, JL [1 ]
机构
[1] UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
关键词
D O I
10.1021/ja00075a094
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:10424 / 10425
页数:2
相关论文
共 40 条
[1]  
Bell R.P., 1980, TUNNEL EFFECT CHEM, DOI DOI 10.1007/978-1-4899-2891-7
[2]   VARIATIONAL TRANSITION-STATE FOR THE REACTION OF CL2C - WITH ETHYLENE AND THE THERMODYNAMICS OF CARBENE ADDITIONS [J].
BLAKE, JF ;
WIERSCHKE, SG ;
JORGENSEN, WL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (05) :1919-1920
[3]   VIBRATIONALLY ASSISTED TUNNELING IN THE [1,5] SIGMATROPIC HYDROGEN SHIFT IN CIS-1,3-PENTADIENE [J].
CHANTRANUPONG, L ;
WILDMAN, TA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (11) :4151-4154
[4]   THEORY OF SELF-CONSISTENT ELECTRON PAIRS - COMPUTATIONAL METHODS AND PRELIMINARY APPLICATIONS [J].
DYKSTRA, CE ;
SCHAEFER, HF ;
MEYER, W .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (07) :2740-2750
[5]   THEORETICAL PREDICTIONS OF ACTIVATION-ENERGIES FOR 1,2-HYDROGEN SHIFTS IN SINGLET CARBENES [J].
EVANSECK, JD ;
HOUK, KN .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) :5518-5523
[6]   MNDO INVESTIGATION OF THE 1,2-REARRANGEMENT OF SINGLET CARBENES AND NITRENES [J].
FRENKING, G ;
SCHMIDT, J .
TETRAHEDRON, 1984, 40 (11) :2123-2132
[7]   CRITICAL TESTS OF VARIATIONAL TRANSITION-STATE THEORY AND SEMICLASSICAL TUNNELING METHODS FOR HYDROGEN AND DEUTERIUM ATOM TRANSFER-REACTIONS AND USE OF THE SEMICLASSICAL CALCULATIONS TO INTERPRET THE OVERBARRIER AND TUNNELING DYNAMICS [J].
GARRETT, BC ;
TRUHLAR, DG .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (25) :10374-10379
[8]   METHYL-VINYLIDENES AND DIMETHYL-VINYLIDENES AND THEIR REARRANGEMENTS TO ACETYLENES [J].
GODDARD, JD .
CHEMICAL PHYSICS LETTERS, 1981, 84 (03) :609-613
[10]   ARE PI-COMPLEXES INTERMEDIATES IN HALOCARBENE CYCLO-ADDITIONS [J].
HOUK, KN ;
RONDAN, NG ;
MAREDA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (15) :4291-4293