THE EQUILIBRIUM STRUCTURE OF MONOFLUOROACETYLENE

被引：12

作者：

BORRO, AF ^{[1
]}

MILLS, IM ^{[1
]}

机构：

[1] UNIV READING,DEPT CHEM,READING RG6 2AD,BERKS,ENGLAND

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1994年 / 320卷

关键词：

D O I：

10.1016/0022-2860(93)08017-X

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 equilibrium rotational constants B(e) of HCCF and DCCF have been determined from the ground state rotational constants B0, by determining the alpha(r) constants for all five fundamentals from the high-resolution vibration-rotation spectrum making appropriate corrections for the effects of Fermi resonance. By combination with results from the C-13 isotopomers and the recent ab initio calculations by Botschwina et al. (Chem. Phys. Lett., 209 (1993) 117), the equilibrium structure is deduced to be: r(e)(CH) = 1.0555 (15) angstrom, r(e)(CC) = 1.1955 (8) angstrom and r(e)(CF) = 1.2781 (8) angstrom

引用

页码：237 / 242

页数：6

共 9 条

[1]

BORRO AF, UNPUB

[2] ABINITIO SPECTROSCOPIC CONSTANTS AND THE EQUILIBRIUM GEOMETRY OF HCCF [J].