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Rotational spectroscopy as a tool to inv...
Müller, Holger S. P...
Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: low-lying states v8≤2 of methyl cyanide, CH3CN by Müller, Holger S. P. ( Author )
N.A
24-02-2015
Spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations as well as for infrared spectroscopic investigations of planetary atmospheres. The rotational spectra cover large portions of the 36−1627 GHz region. In the infrared (IR), a spectrum was recorded for this study in the region of 2ν8 around 717 cm−1 with assignments covering 684−765 cm−1. Additional spectra in the ν8 region were used to validate the analysis. The large amount and the high accuracy of the rotational data extend to much higher J and K quantum numbers and allowed us to investigate for the first time in depth local interactions between these states which occur at high K values. In particular, we have detected several interactions between v8=1 and 2. Notably, there is a strong Δv8=±1, ΔK=0, Δl=±3 Fermi resonance between v8=1−1 and v8=2+2 at K = 14. Pronounced effects in the spectrum are also caused by resonant Δv8=±1, ΔK=∓2, Δl=±1 interactions between v8=1 and 2. An equivalent resonant interaction occurs between K = 14 of the ground vibrational state and K = 12, l=+1 of v8=1 for which we present the first detailed account. A preliminary account was given in an earlier study on the ground vibrational state. From data pertaining to v8=2, we also investigated rotational interactions with v4=1 as well as Δv8=±1, ΔK=0, Δl=±3 Fermi interactions between v8=2 and 3. We have derived N2- and self-broadening coefficients for the ν8, 2ν8−ν8, and 2ν8 bands from previously determined nu4 values. Subsequently, we determined transition moments and intensities for the three IR bands.
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Article
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36.88 KB
English
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MYR 0.01
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https://arxiv.org/abs/1502.06867
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