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Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments. / Sokolov, Andrei; Buldyreva, Jeanna; Kouzov, Alexander.

In: Journal of Raman Spectroscopy, Vol. 51, No. 10, 08.08.2020, p. 2053-2060.

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

Harvard

Sokolov, A, Buldyreva, J & Kouzov, A 2020, 'Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments', Journal of Raman Spectroscopy, vol. 51, no. 10, pp. 2053-2060. https://doi.org/10.1002/jrs.5949, https://doi.org/10.1002/jrs.5949

APA

Sokolov, A., Buldyreva, J., & Kouzov, A. (2020). Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments. Journal of Raman Spectroscopy, 51(10), 2053-2060. https://doi.org/10.1002/jrs.5949, https://doi.org/10.1002/jrs.5949

Vancouver

Sokolov A, Buldyreva J, Kouzov A. Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments. Journal of Raman Spectroscopy. 2020 Aug 8;51(10):2053-2060. https://doi.org/10.1002/jrs.5949, https://doi.org/10.1002/jrs.5949

Author

Sokolov, Andrei ; Buldyreva, Jeanna ; Kouzov, Alexander. / Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments. In: Journal of Raman Spectroscopy. 2020 ; Vol. 51, No. 10. pp. 2053-2060.

BibTeX

@article{9ff0fe115b65469eb5c624f73c580cba,
title = "Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments",
abstract = "Non-Markovian effects having a strong influence on far-wing intensities of spectroscopic signatures by molecular gases are analyzed theoretically with the use of a non-Markovian relaxation matrix derived for rapidly colliding linear rotators (J. Chem. Phys. 149, 044305 [2018]) for the benchmark case of rototranslational Raman spectra of molecular nitrogen recorded at high densities up to very far wings (Phys. Lett. A 157, 44 [1991]). This matrix is built here on the base of the translational-spectrum model of Birnbaum and Cohen and the recently computed, from known potential energy surfaces, two leading classical spectral moments (J. Ram. Spectrosc. 2020, DOI: 10.1002/jrs.5923). Theoretical intensity computations, going beyond the commonly used impact approximation, give much less overestimated values in the far wing and constitute a promising tool for getting accurate theoretical description of broad-band spectra.",
keywords = "classical spectral moments, far spectral wings, high pressure, N, non-Markovian relaxation matrix, N2, N-2, NITROGEN, ROTATIONAL RELAXATION, SCATTERING",
author = "Andrei Sokolov and Jeanna Buldyreva and Alexander Kouzov",
year = "2020",
month = aug,
day = "8",
doi = "10.1002/jrs.5949",
language = "English",
volume = "51",
pages = "2053--2060",
journal = "Journal of Raman Spectroscopy",
issn = "0377-0486",
publisher = "Wiley-Blackwell",
number = "10",

}

RIS

TY - JOUR

T1 - Pressure effects on N2–N2 rototranslational Raman spectra predicted from leading spectral moments

AU - Sokolov, Andrei

AU - Buldyreva, Jeanna

AU - Kouzov, Alexander

PY - 2020/8/8

Y1 - 2020/8/8

N2 - Non-Markovian effects having a strong influence on far-wing intensities of spectroscopic signatures by molecular gases are analyzed theoretically with the use of a non-Markovian relaxation matrix derived for rapidly colliding linear rotators (J. Chem. Phys. 149, 044305 [2018]) for the benchmark case of rototranslational Raman spectra of molecular nitrogen recorded at high densities up to very far wings (Phys. Lett. A 157, 44 [1991]). This matrix is built here on the base of the translational-spectrum model of Birnbaum and Cohen and the recently computed, from known potential energy surfaces, two leading classical spectral moments (J. Ram. Spectrosc. 2020, DOI: 10.1002/jrs.5923). Theoretical intensity computations, going beyond the commonly used impact approximation, give much less overestimated values in the far wing and constitute a promising tool for getting accurate theoretical description of broad-band spectra.

AB - Non-Markovian effects having a strong influence on far-wing intensities of spectroscopic signatures by molecular gases are analyzed theoretically with the use of a non-Markovian relaxation matrix derived for rapidly colliding linear rotators (J. Chem. Phys. 149, 044305 [2018]) for the benchmark case of rototranslational Raman spectra of molecular nitrogen recorded at high densities up to very far wings (Phys. Lett. A 157, 44 [1991]). This matrix is built here on the base of the translational-spectrum model of Birnbaum and Cohen and the recently computed, from known potential energy surfaces, two leading classical spectral moments (J. Ram. Spectrosc. 2020, DOI: 10.1002/jrs.5923). Theoretical intensity computations, going beyond the commonly used impact approximation, give much less overestimated values in the far wing and constitute a promising tool for getting accurate theoretical description of broad-band spectra.

KW - classical spectral moments

KW - far spectral wings

KW - high pressure

KW - N

KW - non-Markovian relaxation matrix

KW - N2

KW - N-2

KW - NITROGEN

KW - ROTATIONAL RELAXATION

KW - SCATTERING

UR - http://www.scopus.com/inward/record.url?scp=85089081433&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/a7159cc8-8c8c-38f9-bc48-16dc91146d58/

U2 - 10.1002/jrs.5949

DO - 10.1002/jrs.5949

M3 - Article

AN - SCOPUS:85089081433

VL - 51

SP - 2053

EP - 2060

JO - Journal of Raman Spectroscopy

JF - Journal of Raman Spectroscopy

SN - 0377-0486

IS - 10

ER -

ID: 62343533