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Article dans une revue

Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized ?: The 2v3 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 2 nu(3) 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 eta(int) = 6/7.16, closely approaching the upper bound eta(max) = 6/7. 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 nu(1) and antisymmetric nu(3) stretching vibrations are incorporated.

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https://hal.univ-angers.fr/hal-03344660
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Soumis le : mercredi 15 septembre 2021 - 10:48:59
Dernière modification le : jeudi 9 décembre 2021 - 15:46:03
Archivage à long terme le : : jeudi 16 décembre 2021 - 18:33:43

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Michel Chrysos, I.-A. Verzhbitskiy, Florent Rachet, A.-P. Kouzov. Are asymmetric stretch Raman spectra by centrosymmetric molecules depolarized ?: The 2v3 overtone of CO2. Journal of Chemical Physics, American Institute of Physics, 2011, 134 (4), Non spécifié. ⟨10.1063/1.3535599⟩. ⟨hal-03344660⟩

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