The 2ν8 Band of CH3CN

Koivusaari, M.; Tolonen, A.‐M.; Paso, R.; Schroderus, J.; Anttila, R.

doi:10.1006/jmsp.1993.1202

Cited by 11 publications

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“…Table 2: Maximum J and K values and number of rotational and IR lines in vibrational substates of methyl cyanide used in the present / previous study a , with numbers retained in the present fit from previous data in parentheses and rms error for subsets of data. [27,33,42] and references therein for = 0, 8 = 1, and 8 = 2, respectively.…”

Section: =mentioning

confidence: 99%

“…e No rms error was given in Refs. [33,42]; we assume parameter uncertainties are based on standard errors, i.e. the rms error is 1.0 by definition.…”

Section: =mentioning

confidence: 99%

“…The parallel 2ν 8 band at 716.7 cm −1 [42] was treated as an isolated state in that study even though a rather strong Fermi interaction of 8 = 2 0 with 4 = 1, the non-degenerate C−C stretching mode at 920.3 cm −1 (W 488 ≈ 30 cm −1 ) was proposed from a force field analysis [43]. This interaction has not been considered in high resolution analyses of 8 = 2 thus far.…”

Section: Introductionmentioning

confidence: 98%

“…This interaction has not been considered in high resolution analyses of 8 = 2 thus far. Transitions to 8 = 2 ±2 became observable only through q 22 interaction with 8 = 2 0 [42]. A Fermi interaction between 7 = 1 +1 , and 8 = 2 −2 at K = 12 and 13 was proposed to explain deviations in the high-K part of the ν 7 band [44].…”

Section: Introductionmentioning

confidence: 99%

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Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v8⩽2 of methyl cyanide, CH3CN

Müller

Brown

Drouin

et al. 2015

Journal of Molecular Spectroscopy

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Rotational and rovibrational spectra of methyl cyanide were recorded to analyze interactions in low-lying vibrational states and to construct line lists for radio astronomical observations in space 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 2ν 8 around 717 cm −1 with assignments covering 684−765 cm −1. Additional spectra in the ν 8 region were used to validate the analysis. Information on the K level structure of CH 3 CN is almost exclusively obtained from IR spectra, as are basics of the J level structure. The large amount and the high accuracy of the rotational data improves knowledge of the J level structure considerably. Moreover, since these data extend to much higher J and K quantum numbers, they 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 8 = 1 and 2. Notably, there is a strong ∆ 8 = ±1, ∆K = 0, ∆l = ±3 Fermi resonance between 8 = 1 −1 and 8 = 2 +2 at K = 14. Pronounced effects in the spectrum are also caused by resonant ∆ 8 = ±1, ∆K = ∓2, ∆l = ±1 interactions between 8 = 1 and 2 at K = 13, l = −1/K = 11, l = 0 and at K = 15, l = +1/K = 13, l = +2. An equivalent resonant interaction occurs between K = 14 of the ground vibrational state and K = 12, l = +1 of 8 = 1 for which we present the first detailed account. A preliminary account was given in an earlier study on the ground vibrational state. Similar resonances were found for CH 3 CCH and, more recently, for CH 3 NC, warranting comparison of the results. From data pertaining to 8 = 2, we also investigated rotational interactions with 4 = 1 as well as ∆ 8 = ±1, ∆K = 0, ∆l = ±3 Fermi interactions between 8 = 2 and 3. We have derived N 2-and self-broadening coefficients for the ν 8 , 2ν 8 − ν 8 , and 2ν 8 bands from previously determined ν 4 values. Subsequently, we determined transition moments and intensities for the three IR bands.

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Section: =mentioning

confidence: 99%

“…e No rms error was given in Refs. [33,42]; we assume parameter uncertainties are based on standard errors, i.e. the rms error is 1.0 by definition.…”

Section: =mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Rotational spectroscopy as a tool to investigate interactions between vibrational polyads in symmetric top molecules: Low-lying states v8⩽2 of methyl cyanide, CH3CN

Müller

Brown

Drouin

et al. 2015

Journal of Molecular Spectroscopy

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“…Pavone et al [43] investigated the ground state of CH 3 CN by CO 2 laser difference frequency spectroscopy in the region 0.5 -1.5 THz. Fundamentals, overtones and combination bands at low energies have been measured at high resolution in the mid infrared [44]- [49]. The 2 8 overtone band was studied using Fourier transform spectroscopy (FTS) [44] where 1000 lines could be assigned.…”

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confidence: 99%