EMPIRICAL RELATIONSHIP BETWEEN STRUCTURE AND MOLECULAR OPTICAL-ROTATION IN CYCLOHEXANE DERIVATIVES .2.

被引：4

作者：

GALISTEO, D ^{[1
]}

SASTRE, JAL ^{[1
]}

GARCIA, MHM ^{[1
]}

MIGUEL, RN ^{[1
]}

AMO, JFR ^{[1
]}

机构：

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

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1995年 / 354卷 / 01期

关键词：

D O I：

10.1016/0022-2860(95)08853-N

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：

Dihedral angle sines have been related to the molecular rotation values of some di-, tri- and tetrasubstituted cyclo-hexane derivatives. For every compound, dihedral angles were obtained by optimization of their geometry using a molecular mechanics MM2 program. In general, a good concordance with experimental values was obtained.

引用

页码：81 / 87

页数：7

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