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

Access to Document

10.1016/j.jqsrt.2018.07.012

Handle.net

Persistent link to portal record

Cite this

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",

}

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

Access to Document

Handle.net

Fingerprint

Cite this