Direct evaluation of secondary orbital interactions in the Diels-Alder reaction between cyclopentadiene and maleic anhydride

被引：75
作者：
Arrieta, A
Cossío, FP
Lecea, B
机构：
[1] Euskal Herriko Unibertsitatea, Kimika Fak, San Sebastian 20080, Spain
[2] Euskal Herriko Unibertsitatea, Farmazi Fak, Vitoria 01080, Spain
来源：
JOURNAL OF ORGANIC CHEMISTRY | 2001年 / 66卷 / 18期
关键词：
D O I：
10.1021/jo0158478
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
[No abstract available]
引用
收藏
页码：6178 / 6180
页数：3
相关论文
共 24 条
[1]  
Alder K, 1934, LIEBIGS ANN CHEM, V514, P1
[2]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[3]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[4]  
CAREY FA, 1991, ADV ORGANIC CHEM A, P626
[5]  
CRAMER CJ, 1995, REV COMPUTATIONAL CH, V6, P1, DOI DOI 10.1002/9780470125830.CH1
[6]   THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL [J].
DEWAR, MJS ;
ZOEBISCH, EG ;
HEALY, EF ;
STEWART, JJP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3902-3909
[7]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01
[8]   Do secondary orbital interactions really exist? [J].
García, JI ;
Mayoral, JA ;
Salvatella, L .
ACCOUNTS OF CHEMICAL RESEARCH, 2000, 33 (10) :658-664
[9]   ORBITAL SYMMETRIES AND ENDO-EXO RELATIONSHIPS IN CONCERTED CYCLOADDITION REACTIONS [J].
HOFFMANN, R ;
WOODWARD, RB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (19) :4388-&
[10]   SOLVENT EFFECTS ON ENDO/EXO SELECTIVITIES IN (4 + 2) CYCLOADDITIONS OF CYANOETHYLENES [J].
KARCHER, T ;
SICKING, W ;
SAUER, J ;
SUSTMANN, R .
TETRAHEDRON LETTERS, 1992, 33 (52) :8027-8030
123