MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32

Katy L. Chubb; Olga Naumenko; Stefan Keely; Sebestiano Bartolotto; Skye Macdonald; Mahmoud Mukhtar; Andrey Grachov; Joe White; Eden Coleman; Anwen Liu; Alexander Z. Fazliev; Elena R. Polovtseva; Veli-Matti Horneman; Alain Campargue; Tibor Furtenbacher; Attila G. Csaszar; Sergei N. Yurchenko; Jonathan Tennyson

doi:10.1016/j.jqsrt.2018.07.012

MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32

Katy L. Chubb, Olga Naumenko, Stefan Keely, Sebestiano Bartolotto, Skye Macdonald, Mahmoud Mukhtar, Andrey Grachov, Joe White, Eden Coleman, Anwen Liu, Alexander Z. Fazliev, Elena R. Polovtseva, Veli-Matti Horneman, Alain Campargue, Tibor Furtenbacher, Attila G. Csaszar, Sergei N. Yurchenko, Jonathan Tennyson

School of Physics and Astronomy

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

Abstract

44 325 measured and assigned transitions of (H2S)-S-32, the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically. Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The ortho and path principal components of the measured spectroscopic network of (H2SS)-S-32 are considered separately. The verified set of 25 293 ortho- and 18 778 para- (H2S)-S-32 transitions determine 3969 ortho and 3467 para energy levels. The MARVEL results are compared with alternative data compilations, including a theoretical variational linelist. (C) 2018 The Authors. Published by Elsevier Ltd.

Original language	English
Pages (from-to)	178-186
Number of pages	9
Journal	Journal of Quantitative Spectroscopy and Radiative Transfer
Volume	218
DOIs	https://doi.org/10.1016/j.jqsrt.2018.07.012
Publication status	Published - Oct 2018

Keywords

Spectroscopy
Energy levels
Hydrogen sulfide
ROTATIONAL-VIBRATIONAL SPECTRA
IUPAC CRITICAL-EVALUATION
TRANSITION WAVE-NUMBERS
FOURIER-TRANSFORM SPECTRUM
MOLECULAR SPECTROSCOPIC DATABASE
HYDROGEN-SULFIDE
ENERGY-LEVELS
ABSORPTION-SPECTRUM
INFRARED-SPECTRUM
MICROWAVE-SPECTRUM

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10.1016/j.jqsrt.2018.07.012

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Chubb, K. L., Naumenko, O., Keely, S., Bartolotto, S., Macdonald, S., Mukhtar, M., Grachov, A., White, J., Coleman, E., Liu, A., Fazliev, A. Z., Polovtseva, E. R., Horneman, V.-M., Campargue, A., Furtenbacher, T., Csaszar, A. G., Yurchenko, S. N., & Tennyson, J. (2018). MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32. Journal of Quantitative Spectroscopy and Radiative Transfer, 218, 178-186. https://doi.org/10.1016/j.jqsrt.2018.07.012

@article{7004d58a2d9b4d8ebac18ebe6828aef5,

title = "MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32",

abstract = "44 325 measured and assigned transitions of (H2S)-S-32, the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically. Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The ortho and path principal components of the measured spectroscopic network of (H2SS)-S-32 are considered separately. The verified set of 25 293 ortho- and 18 778 para- (H2S)-S-32 transitions determine 3969 ortho and 3467 para energy levels. The MARVEL results are compared with alternative data compilations, including a theoretical variational linelist. (C) 2018 The Authors. Published by Elsevier Ltd.",

keywords = "Spectroscopy, Energy levels, Hydrogen sulfide, ROTATIONAL-VIBRATIONAL SPECTRA, IUPAC CRITICAL-EVALUATION, TRANSITION WAVE-NUMBERS, FOURIER-TRANSFORM SPECTRUM, MOLECULAR SPECTROSCOPIC DATABASE, HYDROGEN-SULFIDE, ENERGY-LEVELS, ABSORPTION-SPECTRUM, INFRARED-SPECTRUM, MICROWAVE-SPECTRUM",

author = "Chubb, {Katy L.} and Olga Naumenko and Stefan Keely and Sebestiano Bartolotto and Skye Macdonald and Mahmoud Mukhtar and Andrey Grachov and Joe White and Eden Coleman and Anwen Liu and Fazliev, {Alexander Z.} and Polovtseva, {Elena R.} and Veli-Matti Horneman and Alain Campargue and Tibor Furtenbacher and Csaszar, {Attila G.} and Yurchenko, {Sergei N.} and Jonathan Tennyson",

year = "2018",

month = oct,

doi = "10.1016/j.jqsrt.2018.07.012",

language = "English",

volume = "218",

pages = "178--186",

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

issn = "0022-4073",

publisher = "Elsevier Inc.",

}

Chubb, KL, Naumenko, O, Keely, S, Bartolotto, S, Macdonald, S, Mukhtar, M, Grachov, A, White, J, Coleman, E, Liu, A, Fazliev, AZ, Polovtseva, ER, Horneman, V-M, Campargue, A, Furtenbacher, T, Csaszar, AG, Yurchenko, SN & Tennyson, J 2018, 'MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32', Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 218, pp. 178-186. https://doi.org/10.1016/j.jqsrt.2018.07.012

TY - JOUR

T1 - MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32

AU - Chubb, Katy L.

AU - Naumenko, Olga

AU - Keely, Stefan

AU - Bartolotto, Sebestiano

AU - Macdonald, Skye

AU - Mukhtar, Mahmoud

AU - Grachov, Andrey

AU - White, Joe

AU - Coleman, Eden

AU - Liu, Anwen

AU - Fazliev, Alexander Z.

AU - Polovtseva, Elena R.

AU - Horneman, Veli-Matti

AU - Campargue, Alain

AU - Furtenbacher, Tibor

AU - Csaszar, Attila G.

AU - Yurchenko, Sergei N.

AU - Tennyson, Jonathan

PY - 2018/10

Y1 - 2018/10

N2 - 44 325 measured and assigned transitions of (H2S)-S-32, the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically. Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The ortho and path principal components of the measured spectroscopic network of (H2SS)-S-32 are considered separately. The verified set of 25 293 ortho- and 18 778 para- (H2S)-S-32 transitions determine 3969 ortho and 3467 para energy levels. The MARVEL results are compared with alternative data compilations, including a theoretical variational linelist. (C) 2018 The Authors. Published by Elsevier Ltd.

AB - 44 325 measured and assigned transitions of (H2S)-S-32, the parent isotopologue of the hydrogen sulfide molecule, are collated from 33 publications into a single database and reviewed critically. Based on this information, rotation-vibration energy levels are determined for the ground electronic state using the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The ortho and path principal components of the measured spectroscopic network of (H2SS)-S-32 are considered separately. The verified set of 25 293 ortho- and 18 778 para- (H2S)-S-32 transitions determine 3969 ortho and 3467 para energy levels. The MARVEL results are compared with alternative data compilations, including a theoretical variational linelist. (C) 2018 The Authors. Published by Elsevier Ltd.

KW - Spectroscopy

KW - Energy levels

KW - Hydrogen sulfide

KW - ROTATIONAL-VIBRATIONAL SPECTRA

KW - IUPAC CRITICAL-EVALUATION

KW - TRANSITION WAVE-NUMBERS

KW - FOURIER-TRANSFORM SPECTRUM

KW - MOLECULAR SPECTROSCOPIC DATABASE

KW - HYDROGEN-SULFIDE

KW - ENERGY-LEVELS

KW - ABSORPTION-SPECTRUM

KW - INFRARED-SPECTRUM

KW - MICROWAVE-SPECTRUM

U2 - 10.1016/j.jqsrt.2018.07.012

DO - 10.1016/j.jqsrt.2018.07.012

M3 - Article

SN - 0022-4073

VL - 218

SP - 178

EP - 186

JO - Journal of Quantitative Spectroscopy and Radiative Transfer

JF - Journal of Quantitative Spectroscopy and Radiative Transfer

ER -

MARVEL analysis of the measured high-resolution rovibrational spectra of (H2S)-S-32

Abstract

Keywords

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