STRUCTURE OF BIPHENYL IN A NEMATIC LIQUID-CRYSTALLINE SOLVENT

被引:52
作者
CELEBRE, G
DELUCA, G
LONGERI, M
CATALANO, D
VERACINI, CA
EMSLEY, JW
机构
[1] UNIV SOUTHAMPTON,DEPT CHEM,SOUTHAMPTON SO9 5NH,HANTS,ENGLAND
[2] UNIV CALABRIA,DIPARTIMENTO CHIM,I-87030 ARCAVACATA,ITALY
[3] UNIV PISA,DIPARTMENTO CHIM,I-56100 PISA,ITALY
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1991年 / 87卷 / 16期
关键词
D O I
10.1039/ft9918702623
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
The proton NMR spectra of biphenyl dissolved in two nematic liquid-crystalline solvents have been analysed to yield 12 independent dipolar coupling constants, D(ij). The D(ij) have been used to obtain the probability distribution, P(nem)(phi), for the angle phi between the ring normals. Two methods of relating D(ij) to P(nem)(phi) have been used: the ME method, which invokes the maximum-entropy principle, and the AP method, which is based on the construction of a potential of mean torque from an addition of contributions from the rigid subunits in a molecule. The value of phi when P(nem)(phi) is a maximum is found to be essentially independent of the solvent, and is determined to be 34 +/- 1-degrees by the ME method, and 37.2 +/- 0.1-degrees by the AP method.
引用
收藏
页码:2623 / 2627
页数:5
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