The Raman spectra and cross-sections of the ν2 band of H2O, D2O, and HDO |
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Authors: | G. Avila S. Montero |
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Affiliation: | Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid, Spain |
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Abstract: | We report the experimental Raman spectra of the ν2 band of H2O, D2O, and HDO in the vapor phase at room temperature. A complete interpretation of the Raman intensities is carried out employing the variational rovibrational wavefunctions obtained from a Hamiltonian in Radau coordinates and an ab initio polarizability surface at 514.5 nm. We show the importance of the rotation-vibration coupling to obtain the correct line intensities. Several tables with the assignments of the individual rotational-vibrational transitions and their Raman scattering strengths are reported. From these tables, the ν2 Raman spectra can be simulated up to 2000 K for H2O, and up to 300 K for D2O and HDO. |
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Keywords: | Water H2O D2O HDO Raman spectrum Polarizability |
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