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Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized? The 23 overtone of CO2. / Chrysos, M.; Verzhbitskiy, I. A.; Rachet, F.; Kouzov, A. P.

In: Journal of Chemical Physics, Vol. 134, No. 4, 044318, 28.01.2011.

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

Harvard

Chrysos, M, Verzhbitskiy, IA, Rachet, F & Kouzov, AP 2011, 'Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized? The 23 overtone of CO2', Journal of Chemical Physics, vol. 134, no. 4, 044318. https://doi.org/10.1063/1.3535599

APA

Chrysos, M., Verzhbitskiy, I. A., Rachet, F., & Kouzov, A. P. (2011). Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized? The 23 overtone of CO2. Journal of Chemical Physics, 134(4), [044318]. https://doi.org/10.1063/1.3535599

Vancouver

Chrysos M, Verzhbitskiy IA, Rachet F, Kouzov AP. Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized? The 23 overtone of CO2. Journal of Chemical Physics. 2011 Jan 28;134(4). 044318. https://doi.org/10.1063/1.3535599

Author

Chrysos, M. ; Verzhbitskiy, I. A. ; Rachet, F. ; Kouzov, A. P. / Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized? The 23 overtone of CO2. In: Journal of Chemical Physics. 2011 ; Vol. 134, No. 4.

BibTeX

@article{831be399bdb2437eb962b93417b5f60c,
title = "Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized?: The 23 overtone of CO2",
abstract = "Molecular vibrations that are not totally symmetrical give rise to depolarized lines [P. Atkins and J. de Paula, Atkins' Physical Chemistry (Oxford University Press, UK, 2006), p. 464]. But in the case of stretching vibrations in centrosymmetric molecules, the statement has so far not been conclusively verified. It is the purpose of this article to report a rigorous experimental and theoretical analysis of the 23 band of CO2-the first overtone of the asymmetrical stretch vibration. The anisotropic spectrum was extracted and its spectral moment calculated from light-scattering measurements, taken at room temperature and for a wide range of CO2-gas densities. Evidence for a near-entirely depolarized Raman band is provided, with integrated depolarization ratio int=67.16, closely approaching the upper bound max=67. Agreement with theoretical predictions is found, on the basis of quality ab initio data for polarizability properties, provided that electro-optical and mechanical anharmonicity and intermode coupling effects between symmetric 1 and antisymmetric 3 stretching vibrations are incorporated.",
author = "M. Chrysos and Verzhbitskiy, {I. A.} and F. Rachet and Kouzov, {A. P.}",
year = "2011",
month = jan,
day = "28",
doi = "10.1063/1.3535599",
language = "English",
volume = "134",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "4",

}

RIS

TY - JOUR

T1 - Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized?

T2 - The 23 overtone of CO2

AU - Chrysos, M.

AU - Verzhbitskiy, I. A.

AU - Rachet, F.

AU - Kouzov, A. P.

PY - 2011/1/28

Y1 - 2011/1/28

N2 - Molecular vibrations that are not totally symmetrical give rise to depolarized lines [P. Atkins and J. de Paula, Atkins' Physical Chemistry (Oxford University Press, UK, 2006), p. 464]. But in the case of stretching vibrations in centrosymmetric molecules, the statement has so far not been conclusively verified. It is the purpose of this article to report a rigorous experimental and theoretical analysis of the 23 band of CO2-the first overtone of the asymmetrical stretch vibration. The anisotropic spectrum was extracted and its spectral moment calculated from light-scattering measurements, taken at room temperature and for a wide range of CO2-gas densities. Evidence for a near-entirely depolarized Raman band is provided, with integrated depolarization ratio int=67.16, closely approaching the upper bound max=67. Agreement with theoretical predictions is found, on the basis of quality ab initio data for polarizability properties, provided that electro-optical and mechanical anharmonicity and intermode coupling effects between symmetric 1 and antisymmetric 3 stretching vibrations are incorporated.

AB - Molecular vibrations that are not totally symmetrical give rise to depolarized lines [P. Atkins and J. de Paula, Atkins' Physical Chemistry (Oxford University Press, UK, 2006), p. 464]. But in the case of stretching vibrations in centrosymmetric molecules, the statement has so far not been conclusively verified. It is the purpose of this article to report a rigorous experimental and theoretical analysis of the 23 band of CO2-the first overtone of the asymmetrical stretch vibration. The anisotropic spectrum was extracted and its spectral moment calculated from light-scattering measurements, taken at room temperature and for a wide range of CO2-gas densities. Evidence for a near-entirely depolarized Raman band is provided, with integrated depolarization ratio int=67.16, closely approaching the upper bound max=67. Agreement with theoretical predictions is found, on the basis of quality ab initio data for polarizability properties, provided that electro-optical and mechanical anharmonicity and intermode coupling effects between symmetric 1 and antisymmetric 3 stretching vibrations are incorporated.

UR - http://www.scopus.com/inward/record.url?scp=79551599972&partnerID=8YFLogxK

U2 - 10.1063/1.3535599

DO - 10.1063/1.3535599

M3 - Article

AN - SCOPUS:79551599972

VL - 134

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 4

M1 - 044318

ER -

ID: 62725981