STABILIZING THE BOAT CONFORMATION OF CYCLOHEXANE RINGS

被引：8

作者：

DASGUPTA, S

TANG, YC

MOLDOWAN, JM

CARLSON, RMK

GODDARD, WA

机构：

[1] CHEVRON PETR TECHNOL CO,LA HABRA,CA 90631

[2] STANFORD UNIV,DEPT GEOG & ENVIRONM SCI,STANFORD,CA 94305

[3] CHEVRON PETR TECHNOL CO,RICHMOND,CA 94802

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1995年 / 117卷 / 24期

关键词：

D O I：

10.1021/ja00129a017

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In calculating the energetics for various conformers of the A, B, and C series of hopanoid hydrocarbons present in mature oil reservoirs, we find that the B series prefers the boat conformation (by 1.3-2.5 kcal/mol) for the D cyclohexane ring (see Figures 1 and 2). We analyze the structural elements responsible for stabilizing this boat conformation, identify the key features, and illustrate how one might stabilize boat conformations of other systems.

引用

页码：6532 / 6534

页数：3

共 8 条

[1]

Allinger N., 1989, J AM CHEM SOC, V111, P8551, DOI 10.1021/ja00205a001,10.1021/ja00205a002

[2] CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS [J].