A complex of molecular fluorine with an organic compound detected in the gas phase: The rotational spectrum of CH3CN center dot center dot center dot F-2

被引:13
|
作者
Cotti, G [1 ]
Cooke, SA [1 ]
Evans, CM [1 ]
Holloway, JH [1 ]
Legon, AC [1 ]
机构
[1] UNIV LEICESTER,DEPT CHEM,LEICESTER LE1 7RH,LEICS,ENGLAND
关键词
D O I
10.1016/0009-2614(96)00861-5
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
A complex of methyl cyanide and molecular fluorine was detected by using a fast-mixing nozzle in a Fourier-transform microwave spectrometer. Ground-state rotational spectra of three symmetric-top isotopomers (CH3CN)-N-14 ... F-2, (CD3CN)-N-14 ... F-2 and (CH3CN)-N-15 ... F-2 were analysed to give the spectroscopic constants B-0 D-J D-JK, H-JK and chi(aa)(N-14) Interpretation of the spectroscopic constants revealed that the order of the nuclei on the molecular symmetry axis is C-C=N ... F-F, that r(N ... F-i) = 2.748(3) Angstrom and that the complex is weakly bound as judged by the value of the intermolecular stretching force constant k(sigma) = 2.5 N m(-1) and the bending force constant k(theta) = 4 X 10(-21) J rad(-2).
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页码:388 / 394
页数:7
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