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

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

doi:10.1006/jmsp.1993.1201

Cited by 31 publications

(53 citation statements)

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“…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]. This interaction was confirmed in a later study mainly concerned with ν 4 , ν 7 and 3ν 1 8 bands between 850 and 1150 cm −1 [45]; in addition, a ∆k = −1 and ∆l = +2 interaction between 8 = 2 −2 and 4 = 1 at K = 6 and 5, respectively was found for the first time along with several other perturbations among the higher lying states.…”

Section: Introductionmentioning

confidence: 66%

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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: Introductionmentioning

confidence: 66%

“…If there were effects, which were caused by vibrational states outside of the polyad under investigation, they were only considered through the effective parameters, see, e.g., Refs. [41,45].…”

Section: Introductionmentioning

confidence: 99%

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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“…Parameters describing the three states around 10 μm were taken mostly from the study of Tolonen at al. [485] .…”

Section: Ch 3 Cn (Molecule 41)mentioning

confidence: 99%

The HITRAN 2004 molecular spectroscopic database

Rothman

Jacquemart

Barbé

et al. 2005

Journal of Quantitative Spectroscopy and Radiative Transfer

2,783

2,115

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“…Weak IR absorption, particularly for molecules whose pump coincidences involve bending modes, presents the greatest challenge to DR spectroscopy, just as it has limited the performance of many optically pumped far-infrared laser gases. For heavier molecules, this problem may be alleviated as the transition dipole moments tend to increase (e.g., dμ/dQ 6 = 0.054 D for CH 3 Br), and increasing complex vibrational energy-level structures allow some selection in which vibrational mode the laser excites (e.g., a CO 2 laser may excite the V 4 , V 7 , or 3V 1 8 vibrational modes of CH 3 CN) [32,33].…”

Section: Discussionmentioning

confidence: 99%

Infrared-terahertz double-resonance spectroscopy of CH3F and CH3Cl at atmospheric pressure

et al. 2012

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A method for highly selective remote sensing of atmospheric trace polar molecular gases is described. Based on infrared-terahertz double-resonance spectroscopic techniques, the molecule-specific coincidence between the lines of a CO 2 laser and rotational-vibrational molecular absorption transitions provide two dimensions of recognition specificity: infrared coincidence frequency and the corresponding terahertz frequency whose absorption strength is modulated by the laser. Atmospheric pressure broadening expands the molecular recognition "specificity matrix" by simultaneously relaxing the infrared coincidence requirement and strengthening the corresponding terahertz signature. Representative double-resonance spectra are calculated for prototypical molecules CH 3 F and CH 3 Cl and their principal isotopomers from which a heuristic model is developed to estimate the specificity matrix and double-resonance signature strength for any polar molecule.

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

Cited by 31 publications

References 0 publications

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

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

The HITRAN 2004 molecular spectroscopic database

Infrared-terahertz double-resonance spectroscopy of CH3F and CH3Cl at atmospheric pressure

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