THEORETICAL-STUDIES OF HALOCARBENE CYCLO-ADDITION SELECTIVITIES - A NEW INTERPRETATION OF NEGATIVE ACTIVATION-ENERGIES AND ENTROPY CONTROL OF SELECTIVITY

被引:146
作者
HOUK, KN
RONDAN, NG
MAREDA, J
机构
关键词
D O I
10.1016/S0040-4020(01)96395-1
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:1555 / 1563
页数:9
相关论文
共 59 条
[1]  
Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond
[2]   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
[3]   MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].
BINKLEY, JS ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236
[4]   GROUND-STATES OF MOLECULES .19. CARBENE AND ITS REACTIONS [J].
BODOR, N ;
WASSON, JS ;
DEWAR, MJS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) :9095-9102
[5]  
DOUBLEDAY C, 1984, J AM CHEM SOC, V106, P447, DOI 10.1021/ja00314a046
[6]   The activated complex in chemical reactions [J].
Eyring, H .
JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (02) :107-115
[7]   INTERMOLECULAR PERTURBATION APPROACH TO CYCLOADDITION OF CARBENES TOWARD OLEFINS - REACTION PATH AND STEREOSELECTIVITY [J].
FUENO, T ;
TATSUMI, K ;
YAMAGUCH.K ;
NAGASE, S .
THEORETICA CHIMICA ACTA, 1972, 26 (01) :43-&
[8]   MOLECULAR-ORBITAL CALCULATION OF CHEMICALLY INTERACTING SYSTEMS - ADDITION OF SINGLET METHYLENE TO ETHYLENE [J].
FUJIMOTO, H ;
FUKUI, K ;
YAMABE, S .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1972, 45 (08) :2424-+
[9]   THE SIGNIFICANCE OF ISOSELECTIVE TEMPERATURES FOR THE EXISTENCE OF LINEAR FREE-ENERGY RELATIONSHIPS [J].
GIESE, B ;
LEE, WB .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1980, 19 (10) :835-836
[10]   TEMPERATURE-DEPENDENCE OF LINEAR FREE-ENERGY RELATIONSHIP OF CARBENE CYCLO-ADDITIONS [J].
GIESE, B ;
LEE, WB .
CHEMISCHE BERICHTE-RECUEIL, 1981, 114 (10) :3306-3312