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Analysis of Rovibrational Resonances Observed in the Microwave Spectrum of FCCCN

✍ Scribed by Toshiaki Okabayashi; Keiichi Tanaka; Takehiko Tanaka

Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
482 KB
Volume
195
Category
Article
ISSN
0022-2852

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✦ Synopsis

Microwave spectrum of fluorocyanoacetylene (FCCCN) produced by a glow discharge in pentafluorobenzonitrile (C 6 F 5 CN) was observed using a source modulation spectrometer with a free-space absorption cell. Rotational transitions in the range from J Ο­ 9-8 to 53-52 were observed for the vibrationally excited states of 4 (COC stretch), 5 (CCN bend), 6 (FCC bend), 7 (CCC bend), and their associated overtone and combination states up to about 1000 cm Οͺ1 . Most of the vibrational states above 500 cm Οͺ1 are perturbed by rovibrational resonances. The effective vibration-rotation constant of the 4 state has a negative value (Οͺ0.4 MHz), although a vibration-rotation constant generally has a positive value in the excited state of the stretching vibrational mode in a linear molecule. This anomalous behavior is interpreted as due to the rovibrational resonances between the 4 and several nearby states. By the simultaneous analysis of the states concerned, the unperturbed vibrational energy and rotational constant of the 4 state are obtained to be 686.50(76) cm Οͺ1 and 2068.2387(21) MHz, respectively, where the uncertainties correspond to one standard deviation.

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