AN MC-SCF STUDY OF THE MECHANISMS FOR 1,3-DIPOLAR CYCLOADDITIONS

被引:116
作者
MCDOUALL, JJW
ROBB, MA
NIAZI, U
BERNARDI, F
SCHLEGEL, HB
机构
[1] UNIV LONDON KINGS COLL,DEPT CHEM,LONDON WC2R 2LS,ENGLAND
[2] WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
[3] UNIV BOLOGNA,DEPT CHIM G CIAMICIAN,I-40126 BOLOGNA,ITALY
关键词
D O I
10.1021/ja00249a030
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4642 / 4648
页数:7
相关论文
共 28 条
[11]   COMPARISON OF MINIMAL AND EXTENDED BASIS-SETS IN TERMS OF RESONANT FORMULAS - APPLICATION TO 1,3 DIPOLES [J].
HIBERTY, PC ;
OHANESSIAN, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (01) :66-70
[12]   THEORETICAL ABINITIO STUDY OF 1,3-DIPOLAR CYCLOADDITION OF FULMINIC ACID TO ACETYLENE - SUPPORT FOR FIRESTONES MECHANISM [J].
HIBERTY, PC ;
OHANESSIAN, G ;
SCHLEGEL, HB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (04) :719-723
[13]   FRONTIER MOLECULAR-ORBITALS OF 1,3 DIPOLES AND DIPOLAROPHILES [J].
HOUK, KN ;
SIMS, J ;
DUKE, RE ;
STROZIER, RW ;
GEORGE, JK .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (22) :7287-7301
[14]   ORIGIN OF REACTIVITY, REGIOSELECTIVITY, AND PERISELECTIVITY IN 1,3-DIPOLAR CYCLOADDITIONS [J].
HOUK, KN ;
SIMS, J ;
WATTS, CR ;
LUSKUS, LJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (22) :7301-7315
[15]   FRONTIER MOLECULAR-ORBITAL THEORY OF CYCLOADDITION REACTIONS [J].
HOUK, KN .
ACCOUNTS OF CHEMICAL RESEARCH, 1975, 8 (11) :361-369
[16]  
HOUK KN, 1973, J AM CHEM SOC, V95, P3798
[17]   CONCERTED NATURE OF 1,3-DIPOLAR CYCLOADDITIONS AND QUESTION OF DIRADICAL INTERMEDIATES [J].
HUISGEN, R .
JOURNAL OF ORGANIC CHEMISTRY, 1976, 41 (03) :403-419
[18]  
Huisgen R., 1963, ANGEW CHEM INT EDIT, P565, DOI [10.1002/anie.196305651, DOI 10.1002/ANIE.196305651]
[19]   REACTION OF ACETYLENE WITH FULMINIC ACID - PROTOTYPE 1,3-DIPOLAR CYCLOADDITION [J].
KOMORNICKI, A ;
GODDARD, JD ;
SCHAEFER, HF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (06) :1763-1769
[20]   THEORETICAL-STUDY OF 1,3-DIPOLAR CYCLOADDITION [J].
LEROY, G ;
SANA, M .
TETRAHEDRON, 1975, 31 (17) :2091-2097