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Vibrational spectra in the region of OX stretches in SnCl2 · 2X2O (X = H or D) at room temperature

✍ Scribed by Isao Kanesaka; Tadashi Ogawa

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
457 KB
Volume
24
Category
Article
ISSN
0377-0486

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✦ Synopsis

Abstract

Polarized Raman spectra in the region of the OH stretches and the decoupled OD stretches in a crystal of SnCl~2~ · 2X~2~O (X = H or D) at room temperature are reported, together with infrared and Raman spectra in the polycrystalline state. Seven decoupled modes for four types of hydrogen bond were observed, which were assigned on the basis of six types of water configuration. A slight shift was found for some bands above 3350 cm^−1^ on going from the decoupled to the coupled state. The Raman band assigned to the in‐phase v~1~ mode was observed at 3060 (2275) cm^−1^ in the H (D) system, which was only lower by 89 (54) cm^−1^ than the decoupled mode. These spectra were analysed on the basis of a force field with intra‐ and intermolecular interaction constants using 72 water molecules with disorder in the hydrogen positions which satisfy a periodic boundary condition. The observed spectra were essentially explained in terms of the initial set of force constants, except for a medium band at ca. 3200 cm^−1^, which was accounted for using a shoulder in the decoupled spectra.

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