SUPPLEMENTING LIQUID-CRYSTAL NMR DATA WITH DATA FROM ELECTRON-DIFFRACTION AND ROVIBRATIONAL SPECTROSCOPY TO DETERMINE A MORE PRECISE AND ACCURATE STRUCTURE FOR PARA-DICHLOROBENZENE

被引：9

作者：

CRADOCK, S

LIESCHESKI, PB

RANKIN, DWH

机构：

[1] Department of Chemistry, University of Edinburgh, Edinburgh, EH0 3JJ Scotland, West Mains Road

来源：

JOURNAL OF MAGNETIC RESONANCE | 1991年 / 91卷 / 02期

基金：

英国工程与自然科学研究理事会; 美国国家科学基金会;

关键词：

D O I：

10.1016/0022-2364(91)90195-Y

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The supplementation of data from liquid-crystal NMR with data from electron diffraction and rovibrational spectroscopy in order to determine a more precise and accurate structure and the application of this technique to p-dichlorobenzene are described. Direct and indirect couplings involving 13C nuclei, a rotation constant obtained by high-resolution FT IR spectroscopy, and new electron diffraction data have been recorded and analyzed simultaneously. Assuming planarity and D2h symmetry, the best (rα structure for p-dichlorobenzene thus obtained is rCH = 107.6(3) pm, rCC1 = 172.93(14) pm, rC(1)C(2) = 139.53(7) pm, rC(2)C(3) = 139.12(17) pm, <C(6)C(I)C(2) = 121.06(14)°, and <C(1 )C(2)H = 120.48(3)°. © 1991.

引用

收藏

页码：316 / 325

页数：10

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