An understanding of molecular mechanism of domino cycloadditions.: Density functional theory study of the reaction between hexafluorobut-2-yne and N,N′-dipyrrolylmethane

被引:64
作者
Domingo, LR
Arnó, M
Andrés, J
机构
[1] Univ Jaume 1, Dept Ciencies Expt, Castellon de La Plana 12080, Spain
[2] Univ Valencia, Dept Quim Organ, E-46100 Valencia, Spain
关键词
D O I
10.1021/ja972887d
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1617 / 1618
页数:2
相关论文
共 36 条
[1]   ELECTRONIC FACTORS INFLUENCING THE ACTIVATION BARRIER OF THE DIELS-ALDER REACTION - AN ABINITIO STUDY [J].
BACH, RD ;
MCDOUALL, JJW ;
SCHLEGEL, HB ;
WOLBER, GJ .
JOURNAL OF ORGANIC CHEMISTRY, 1989, 54 (12) :2931-2935
[2]   DIELS-ALDER REACTIONS OF AZA-1,3-BUTADIENES AND PHOSPHA-1,3-BUTADIENES WITH ETHYLENE - AN ABINITIO STUDY [J].
BACHRACH, SM ;
LIU, MX .
JOURNAL OF ORGANIC CHEMISTRY, 1992, 57 (25) :6736-6744
[3]   AB-INITIO STUDY OF THE DIELS-ALDER REACTION BETWEEN PHOSPHOLES AND ETHYNE [J].
BACHRACH, SM .
JOURNAL OF ORGANIC CHEMISTRY, 1994, 59 (17) :5027-5033
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]  
CARRUTHERS W, 1990, CYCLOADDITION REACTI, pCH1
[6]  
Curtin D.Y., 1954, RECENT CHEM PROG, V15, P111
[7]  
Frisch M.J., 1995, GAUSSIAN 94 REVISION
[8]   Density functional theory prediction of the relative energies and isotope effects for the concerted and stepwise mechanisms of the Diels-Alder reaction of butadiene and ethylene [J].
Goldstein, E ;
Beno, B ;
Houk, KN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (25) :6036-6043
[9]  
Hammett L. P., 1970, PHYS ORGANIC CHEM
[10]  
Hehre W. J., 1986, Ab initio molecular orbital theory