Oxygen- and air-broadening coefficients for the CH3I ν6 fundamental at room temperature

Standard

Oxygen- and air-broadening coefficients for the CH₃I ν₆ fundamental at room temperature. / Troitsyna, L.; Dudaryonok, A.; Filippov, N.; Lavrentieva, N.; Buldyreva, J.

In: Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 273, 107839, 01.10.2021.

Research output: Contribution to journal › Article › peer-review

Author

Troitsyna, L. ; Dudaryonok, A. ; Filippov, N. ; Lavrentieva, N. ; Buldyreva, J. / Oxygen- and air-broadening coefficients for the CH₃I ν₆ fundamental at room temperature. In: Journal of Quantitative Spectroscopy and Radiative Transfer. 2021 ; Vol. 273.

BibTeX

@article{24be09cef4a547028d9337764cc7636b,

title = "Oxygen- and air-broadening coefficients for the CH3I ν6 fundamental at room temperature",

abstract = "CH3I-oxygen line-broadening coefficients at 296 K are calculated for the RR, PR, RP, PP, RQ and PQ sub-branches of the ν6 band in a wide range of rotational quantum numbers (0≤J≤70, K≤20 by a semi-classical and a semi-empirical methods. The computed values compare very favourably with the available experimental data and therefore can be safely employed as estimates of broadening coefficients missing in databases for high J and K. The theoretical data for CH3I-O2 are further combined with the previously calculated room-temperature CH3I-N2 line-broadening coefficients to obtain the air-broadening values required for atmospheric applications. The calculated results demonstrate an excellent consistency with both existing sets of CH3I-air measurements. As the vibrational dependence of CH3I oxygen-broadening coefficients is shown to be small, similarly to the nitrogen-broadening case, the CH3I-O2 and CH3I-air line-broadening coefficients calculated for the ν6 fundamental can be used for other perpendicular and parallel bands.",

keywords = "Air-broadening coefficients, Atmospheric applications, Methyl iodide, Oxygen-broadening coefficients, Perpendicular bands, Semi-classical calculations, Semi-empirical calculations, ROTATIONAL TRANSITIONS, SHAPES, MICROWAVE, NU(6), HALF-WIDTHS, BAND, MOLECULES, LINE PARAMETERS, SPECTRA, METHYL-IODIDE",

author = "L. Troitsyna and A. Dudaryonok and N. Filippov and N. Lavrentieva and J. Buldyreva",

note = "Publisher Copyright: {\textcopyright} 2021 Elsevier Ltd",

year = "2021",

month = oct,

day = "1",

doi = "10.1016/j.jqsrt.2021.107839",

language = "English",

volume = "273",

journal = "Journal of Quantitative Spectroscopy and Radiative Transfer",

issn = "0022-4073",

publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Oxygen- and air-broadening coefficients for the CH3I ν6 fundamental at room temperature

AU - Troitsyna, L.

AU - Dudaryonok, A.

AU - Filippov, N.

AU - Lavrentieva, N.

AU - Buldyreva, J.

PY - 2021/10/1

Y1 - 2021/10/1

N2 - CH3I-oxygen line-broadening coefficients at 296 K are calculated for the RR, PR, RP, PP, RQ and PQ sub-branches of the ν6 band in a wide range of rotational quantum numbers (0≤J≤70, K≤20 by a semi-classical and a semi-empirical methods. The computed values compare very favourably with the available experimental data and therefore can be safely employed as estimates of broadening coefficients missing in databases for high J and K. The theoretical data for CH3I-O2 are further combined with the previously calculated room-temperature CH3I-N2 line-broadening coefficients to obtain the air-broadening values required for atmospheric applications. The calculated results demonstrate an excellent consistency with both existing sets of CH3I-air measurements. As the vibrational dependence of CH3I oxygen-broadening coefficients is shown to be small, similarly to the nitrogen-broadening case, the CH3I-O2 and CH3I-air line-broadening coefficients calculated for the ν6 fundamental can be used for other perpendicular and parallel bands.

AB - CH3I-oxygen line-broadening coefficients at 296 K are calculated for the RR, PR, RP, PP, RQ and PQ sub-branches of the ν6 band in a wide range of rotational quantum numbers (0≤J≤70, K≤20 by a semi-classical and a semi-empirical methods. The computed values compare very favourably with the available experimental data and therefore can be safely employed as estimates of broadening coefficients missing in databases for high J and K. The theoretical data for CH3I-O2 are further combined with the previously calculated room-temperature CH3I-N2 line-broadening coefficients to obtain the air-broadening values required for atmospheric applications. The calculated results demonstrate an excellent consistency with both existing sets of CH3I-air measurements. As the vibrational dependence of CH3I oxygen-broadening coefficients is shown to be small, similarly to the nitrogen-broadening case, the CH3I-O2 and CH3I-air line-broadening coefficients calculated for the ν6 fundamental can be used for other perpendicular and parallel bands.

KW - Air-broadening coefficients

KW - Atmospheric applications

KW - Methyl iodide

KW - Oxygen-broadening coefficients

KW - Perpendicular bands

KW - Semi-classical calculations

KW - Semi-empirical calculations

KW - ROTATIONAL TRANSITIONS

KW - SHAPES

KW - MICROWAVE

KW - NU(6)

KW - HALF-WIDTHS

KW - BAND

KW - MOLECULES

KW - LINE PARAMETERS

KW - SPECTRA

KW - METHYL-IODIDE

UR - http://www.scopus.com/inward/record.url?scp=85111023437&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/b74fdb7b-0ad2-3db4-809d-12f2b1165aa9/

U2 - 10.1016/j.jqsrt.2021.107839

DO - 10.1016/j.jqsrt.2021.107839

M3 - Article

AN - SCOPUS:85111023437

VL - 273

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

SN - 0022-4073

M1 - 107839

ER -

ID: 85364469