DIPOLAR COUPLING STUDY OF THE CONFORMATIONS AND ORDERING OF 4-CHLOROETHOXYBENZENE IN A NEMATIC SOLVENT

被引:5
作者
TERZIS, AF [1 ]
PHOTINOS, DJ [1 ]
机构
[1] UNIV PATRAS,DEPT PHYS,GR-26110 PATRAS,GREECE
关键词
D O I
10.1080/02678299208029023
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The observed dipolar couplings of 4-chloroethoxybenzene in a nematic solvent are used to study the internal rotations about the O-C(H-2) bond. Accurate theoretical reproductions of these couplings are obtained using the standard three state (trans, gauche +/-) rotational isomer model with gauche rotation angle-phi(g) = 96-degrees and the trans-gauche energy difference E(tg) = 5.52 kJ mol-1. The probabilities and ordering matrix components of the trans and gauche forms are calculated.
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页码:719 / 730
页数:12
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