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Normal coordinate analysis and structure of ammonium dihydrogenphosphate

✍ Scribed by Isao Kanesaka; Chikako Watanabe

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 297 KB
Volume: 29
Category: Article
ISSN: 0377-0486
DOI: 10.1002/(sici)1097-4555(199802)29:2<153::aid-jrs206>3.0.co;2-t

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✦ Synopsis

The polarized Raman spectra of ammonium dihydrogenphosphate (ADP) were observed at room temperature. The observed spectra are explained basically in terms of symmetry, since the observed spectra di †er substantially D 2d from those expected for lower symmetry, especially as regards Raman intensity. It is considered that the high symmetry is due to proton tunnellings, which give rise to the delocalization of protons. The normal modes and the Raman intensity of ADP were analysed satisfactorily on the basis of symmetry, which also supports the D 2d delocalization of protons. The low-lying wing in the E species arises from relaxation modes due to translational motions which result from proton tunnellings.

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