The Infrared Spectrum of Methyl Cyanide Between 850 and 1150 cm−1: Analysis of the ν4, ν7, and 3ν18 Bands with Resonances

✍ Scribed by A.M. Tolonen; M. Koivusaari; R. Paso; J. Schroderus; S. Alanko; R. Anttila

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 536 KB
• Volume: 160
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1993.1201

✦ Synopsis

The high-resolution infrared spectrum of (\mathrm{CH}{3} \mathrm{CN}) in the spectral region (850-1150 \mathrm{~cm}^{-1}) has been studied with a resolution of (0.0035 \mathrm{~cm}^{-1}) using a Fourier transform spectrometer. More than 4000 lines belonging to the fundamental bands (v{4}) and (\nu_{7}) and to the overtone (3 v_{8}^{1}) have been assigned. The coupled band system formed by the fundamentals (v_{4}) and (v_{7}) and the various overtones of the (\nu_{8}) band have been analyzed by taking into account the Fermi resonances (\nu_{4} / 3 \nu_{8}^{3}, \nu_{7} / 3 \nu_{8}^{1}), and (\nu_{7} / 2 \nu_{8}^{2}). Furthermore, the Coriolis interaction (\nu_{4} / \nu_{7}) and a number of (l)-type resonances are included in the calculations. As a result, the molecular constants for the states (\left|v_{4}=1\right\rangle, \mid v_{7}=) (\left.1, l_{7}= \pm 1\right\rangle,\left|v_{8}=3, l_{8}= \pm 1\right\rangle), and (\left|v_{8}=3, l_{8}= \pm 3\right\rangle) as well as the resonance parameters describing the interactions between the studied energy levels have been obtained. (c) 1993 Academic Press, Inc.