EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN CYCLOHEXANE DERIVATIVES

被引：10

作者：

GALISTEO, D ^{[1
]}

GONZALEZVADILLO, ME ^{[1
]}

SASTRE, JAL ^{[1
]}

GARCIA, MHM ^{[1
]}

AMO, JFR ^{[1
]}

机构：

[1] UNIV VALLADOLID,ETS INGN IND,DEPT QUIM ORGAN,PASEO CAUCE SN,E-47071 VALLADOLID,SPAIN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1994年 / 326卷

关键词：

D O I：

10.1016/0022-2860(94)08324-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A simple empirical relationship between geometrical parameters and molecular optical rotation experimental values exists for a series of cyclohexane derivatives. By an MM2 molecular mechanics program, geometrical and energetic parameters for these compounds are obtained. As a result of this study, a method of calculating the magnitude and the sign of the molecular optical rotation for compounds similar to those studied is proposed.

引用

页码：239 / 247

页数：9

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