Intermolecular hydrogen bonds, rotational spectrum, and structure of van der Waals complexes of (CH3)2O ••• CF2=CH2 and (CH3)2O ••• CF2=CHF

被引:16
作者
Tatamitani, Y [1 ]
Ogata, T [1 ]
机构
[1] Shizuoka Univ, Fac Sci, Dept Chem, Ohya 4228529, Shizuoka 4228529, Japan
关键词
rotational spectroscopy; van der Waals complex; intermolecular hydrogen bond; free jets;
D O I
10.1016/S0022-2852(03)00029-8
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
The results of molecular beam Fourier transform microwave (FTMW) investigations of the van der Waals complexes of dimethyl ether with 1,1-difluoroethene/trifluoroethene are reported. The rotational parameters of the complexes have been interpreted in terms of a CS geometry with the two methyl groups lying out of the sigma(v) symmetry plane of complexes. The complexes are bound with three hydrogen bonds of which one is the stronger O... H-C type and two are the weaker F... H-C types. Some additional information on the structure and the hydrogen bond has been obtained from ab initio calculations. (C) 2003 Elsevier Science (USA). All rights reserved.
引用
收藏
页码:102 / 108
页数:7
相关论文
共 10 条
[1]   FABRY-PEROT CAVITY PULSED FOURIER-TRANSFORM MICROWAVE SPECTROMETER WITH A PULSED NOZZLE PARTICLE SOURCE [J].
BALLE, TJ ;
FLYGARE, WH .
REVIEW OF SCIENTIFIC INSTRUMENTS, 1981, 52 (01) :33-45
[2]   MICROWAVE-SPECTRUM AND STRUCTURE OF TRIFLUOROETHYLENE [J].
BHAUMIK, A ;
BROOKS, WVF ;
DASS, SC .
JOURNAL OF MOLECULAR STRUCTURE, 1973, 16 (01) :29-33
[3]   MICROWAVE SPECTRA AND STRUCTURE OF DIMETHYL ETHER [J].
BLUKIS, U ;
MYERS, RJ ;
KASAI, PH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2753-+
[4]  
Frisch M.J., 2016, Gaussian 16 Revision C. 01. 2016, V16, P01
[5]   MICROWAVE SPECTRA AND STRUCTURES OF DIFLUOROETHYLENES [J].
LAURIE, VW ;
PENCE, DT .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2693-&
[6]   DETERMINATION OF STRETCHING FORCE-CONSTANTS OF WEAKLY BOUND DIMERS FROM CENTRIFUGAL-DISTORTION CONSTANTS [J].
MILLEN, DJ .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :1477-1479
[7]  
Pauling L., 1960, NATURE CHEM BOND
[8]   THE ROTATIONAL SPECTRUM AND MOLECULAR-STRUCTURE OF THE BENZENE HYDROGEN-CHLORIDE COMPLEX [J].
READ, WG ;
CAMPBELL, EJ ;
HENDERSON, G .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (06) :3501-3508
[9]   Weak, improper, C-O•••H-C hydrogen bonds in the dimethyl ether dimer [J].
Tatamitani, Y ;
Liu, BX ;
Shimada, J ;
Ogata, T ;
Ottaviani, P ;
Maris, A ;
Caminati, W ;
Alonso, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (11) :2739-2743
[10]  
Watson J. K. G., 1977, Vibrational Spectra and Structure, P1