Non-linearity of weak B•••H-C hydrogen bonds:: an investigation of a complex of vinyl fluoride and ethyne by rotational spectroscopy

被引：42

作者：

Cole, GC ^{[1
]}

Legon, AC ^{[1
]}

机构：

[1] Univ Exeter, Sch Chem, Exeter EX4 4QD, Devon, England

来源：

CHEMICAL PHYSICS LETTERS | 2003年 / 369卷 / 1-2期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/S0009-2614(02)01952-8

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：

Rotational and centrifugal distortion constants were determined for seven isotopomers of a weakly bound complex of vinyl fluoride and ethyne. The complex is planar or nearly planar, with a H of HCCH forming a hydrogen bond to the F atom of vinyl fluoride. The r(0) geometry is: r(F... H) = 2.441(4) Angstrom, phi = 122.7(4)degrees and theta = 36.5(2)degrees, where phi is the angle made by the F...H intemuclear line with the C-F internuclear axis and theta is the angular deviation of the F...H-C nuclei from collinearity. The non-linearity theta is attributed to the effect of a secondary interaction involving the pi-bond of ethyne with one of the H atoms on C-2 of vinyl fluoride. The angular geometry Of C2H3F...HCCH is compared with those of other species C2H3F...HX. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：31 / 40

页数：10

共 34 条

[1] INFRARED-SPECTRUM OF C2HD AROUND 700-CM-1 [J].