A COMPUTATIONAL APPROACH TO THE STRUCTURE OF 4-ALKOXY-4'-CYANOBIPHENYL IN NEMATIC MESOPHASE

被引：14

作者：

ONO, I ^{[1
]}

KONDO, S ^{[1
]}

机构：

[1] SCI UNIV TOKYO, FAC SCI, DEPT CHEM, 1-3 KAGURAZAKA, SHINJUKU KU, TOKYO 162, JAPAN

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1993年 / 66卷 / 02期

关键词：

D O I：

10.1246/bcsj.66.633

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computer simulations were carried out to study the structural properties of the nematogens, nOCB (n = 5-8). The order parameters for the individual C-H bonds in the alkoxyl chain decreased stepwise along the chain in a manner similar to that determined by NMR techniques. A small difference in the ratio of molecular length to width for the compounds studied appeared according to the flexibility in the chain. The calculated densities and anisotropies in the self-diffusion coefficients were found to decrease with increasing number of carbons in the chain.

引用

页码：633 / 638

页数：6

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