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Título

The rotational Raman spectra and cross sections of H2O, D2O, and HDO

AutorAvila, Gustavo ; Tejeda, Guzmán ; Fernández Sánchez, José María ; Montero, Salvador
Palabras claveWater
H2O
D2O
HDO
Raman spectrum
Polarizability
Fecha de publicación16-jun-2003
EditorElsevier
CitaciónJournal of Molecular Spectroscopy 220 , 259–275 (2003)
ResumenWe report the experimental rotational Raman spectra of H2O, and of a mixture of D2O and HDO in the vapor phase at room temperature, and their interpretation in terms of rotational–vibrational energies, wavefunctions, and transition moments of the molecular polarizability. These transition moments are based on high-level ab initio calculations of the wavelength dependent polarizability surface, and on wavefunctions where the rotational–vibrational coupling is considered in detail. As a byproduct of this analysis several tables have been compiled including scattering strengths and assignments for individual rotational transitions of the three species. From these tables the rotational Raman spectra can be simulated over the range of temperatures up to 2000 K for H2O, and up to 300 K for D2O and HDO.
Descripción17 pages, 4 figures, 6 tables.
Versión del editorhttp://dx.doi.org/10.1016/S0022-2852(03)00123-1
URIhttp://hdl.handle.net/10261/22693
DOI10.1016/S0022-2852(03)00123-1
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