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Normal coordinate analysis and structure of ammonium dihydrogenphosphate
Author(s) -
Kanesaka Isao,
Watanabe Chikako
Publication year - 1998
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/(sici)1097-4555(199802)29:2<153::aid-jrs206>3.0.co;2-t
Subject(s) - raman spectroscopy , delocalized electron , symmetry (geometry) , chemistry , proton , relaxation (psychology) , spectral line , ammonium , molecular physics , intensity (physics) , nuclear magnetic resonance , atomic physics , physics , quantum mechanics , geometry , psychology , social psychology , mathematics , organic chemistry
The polarized Raman spectra of ammonium dihydrogenphosphate (ADP) were observed at room temperature. The observed spectra are explained basically in terms of D 2 d symmetry, since the observed spectra differ substantially 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 D 2 d symmetry, which also supports the delocalization of protons. The low‐lying wing in the E species arises from relaxation modes due to translational motions which result from proton tunnellings. © 1998 John Wiley & Sons, Ltd.