Investigation of cyclopropane stereomutation by quasiclassical trajectories on an analytical potential energy surface

被引:69
作者
Hrovat, DA
Fang, S
Borden, WT
Carpenter, BK
机构
[1] UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
[2] CORNELL UNIV, BAKER LAB, DEPT CHEM, ITHACA, NY 14853 USA
关键词
D O I
10.1021/ja964238s
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:5253 / 5254
页数:2
相关论文
共 24 条
[1]  
ANDERSSON K, MOLCAS 3
[2]   Secondary deuterium kinetic isotope effects on the isomerization of the trimethylene diradical to cyclopropane [J].
Baldwin, JE ;
Freedman, TB ;
Yamaguchi, Y ;
Schaefer, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (44) :10934-10935
[3]   THERMAL STEREOMUTATIONS OF CYCLOPROPANE AND OF ISOTOPICALLY LABELED CYCLOPROPANES ASSESSED THROUGH AB-INITIO COMPUTATIONAL METHODS AND KINETIC ISOTOPE EFFECT CALCULATIONS [J].
BALDWIN, JE ;
YAMAGUCHI, Y ;
SCHAEFER, HF .
JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (31) :7513-7522
[4]  
BALDWIN JE, 1995, CHEM CYCLOPROPYL GRO, V2, pCH9
[5]   THERMAL STEREOMUTATION OF OPTICALLY-ACTIVE TRANS-CYCLOPROPANE-1,2-D2 [J].
BERSON, JA ;
PEDERSEN, LD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (01) :238-240
[6]   DIRADICALS - CONCEPTUAL, INFERENTIAL, AND DIRECT-METHODS FOR THE STUDY OF CHEMICAL-REACTIONS [J].
BERSON, JA .
SCIENCE, 1994, 266 (5189) :1338-1339
[7]   THERMAL STEREOMUTATION OF CYCLOPROPANES [J].
BERSON, JA ;
PEDERSEN, LD ;
CARPENTER, BK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (01) :122-143
[8]   DYNAMIC MATCHING - THE CAUSE OF INVERSION OF CONFIGURATION IN THE [1,3] SIGMATROPIC MIGRATION [J].
CARPENTER, BK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (23) :6336-6344
[9]   Bimodal distribution of lifetimes for an intermediate from a quasiclassical dynamics simulation [J].
Carpenter, BK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (42) :10329-10330
[10]   Kinetics of the thermal isomerization of cyclopropane [J].
Chambers, TS ;
Kistiakowsky, GB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1934, 56 :399-405