Ab initio prediction of ring strain enthalpies of cyclic amine-boranes

被引：32

作者：

Gilbert, TM ^{[1
]}

机构：

[1] No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA

来源：

TETRAHEDRON LETTERS | 1998年 / 39卷 / 50期

关键词：

boron heterocycles; nitrogen heterocycles; steric and strain effects; computer-assisted methods;

D O I：

10.1016/S0040-4039(98)02105-4

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Ring strain enthalpies for a series of cyclic amine-boranes (1-azonia-2-boratacycloalkanes) were calculated from MP4(SDTQ)/6-31G*//MP2/6-31G* energies by the group equivalent method. Small rings exhibit smaller RSEs than do the corresponding cycloalkanes; larger rings exhibit RSEs essentially identical to those of the corresponding cycloalkanes. (C) 1998 Elsevier Science Ltd. All rights reserved.

引用

页码：9147 / 9150

页数：4