AN ANALYSIS OF THE VIBRATIONAL FREQUENCIES AND AMPLITUDES OF THE H5O2+ ION IN H4SIW12O40.6H2O (TSA.6H2O) AND H3PW12O40.6H2O (TPA.6H2O)

被引:26
作者
KEARLEY, GJ [1 ]
WHITE, RP [1 ]
FORANO, C [1 ]
SLADE, RCT [1 ]
机构
[1] UNIV EXETER,DEPT CHEM,EXETER EX4 4QD,DEVON,ENGLAND
来源
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1990年 / 46卷 / 03期
关键词
D O I
10.1016/0584-8539(90)80115-F
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
The infrared, Raman and inelastic neutron scattering (INS) spectra of TSA·6H2O and TPA·6H2O are in agreement with those expected for the presence of H5O+2 ions. Force fields for different assignment schemes are compared with the observed vibrational frequencies and the INS spectral profile. All but two schemes are eliminated. Whilst low-resolution INS spectroscopy cannot distinguish between these two schemes, the orientations of the vibrational ellipsoids for one scheme are in better agreement with those reported from low-temperature crystallographic studies of the H5O+2 ion. © 1990.
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页码:419 / 424
页数:6
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