ROTATIONAL SPECTRA OF PYRIDINE-(ARGON)(N), N=1, 2, COMPLEXES AND THEIR VIBRATIONALLY AVERAGED STRUCTURES

被引:74
作者
SPYCHER, RM [1 ]
PETITPREZ, D [1 ]
BETTENS, FL [1 ]
BAUDER, A [1 ]
机构
[1] ETH ZURICH, PHYS CHEM LAB, CH-8092 ZURICH, SWITZERLAND
关键词
D O I
10.1021/j100097a011
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 spectra of the van der Waals complexes of pyridine-N-14- and pyridine-N-15-(argon)(2) have been observed in a pulsed nozzle Fourier transform microwave spectrometer over the frequency range 8-18 GHz. In addition, pyridine-N-15- and pyridine-d(5)-argon complexes have been investigated. The rotational spectrum of the pyridine-d(5) monomer has been measured in a conventional Stark spectrometer. The structures of both types of complexes have been determined, accounting for large-amplitude van der Waals vibrations. A C-s symmetric structure has been found with the argon above the ring plane at a distance of 3.545(1) Angstrom from the center-of-mass of pyridine and including an angle of 3.2(4)degrees with the principal axis c of pyridine. The second argon assumes a symmetrically equivalent position below the ring plane where the angles are increased slightly to 3.92(4)degrees, indicating negligible three-body effects.
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页码:11863 / 11869
页数:7
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