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• W2017566818 startingPage "135" @default.
• W2017566818 abstract "Na3H(SO4)2, K3H(SO4)2 and Rb3H(SO4)2 crystals are composed of (SO4HSO4)−3 dimers linked by rather strong hydrogen bonds (RO…O=2.43 Å for Na3H(SO4)2, RO…O=2.48 Å for Rb3H(SO4)2 and RO…O=2.49 Å for K3H(SO4)2). Crystallographic data of the salts at room temperature indicate either asymmetric (Na3H(SO4)2) or symmetric (K3H(SO4)2 and Rb3H(SO4)2) hydrogen bonds. Inelastic neutron scattering (INS), infrared and Raman spectra of crystal powders at 20 K are reported for these three compounds. The OH bending modes, which give large INS intensities, appear only weakly in the infrared. The two bending modes are degenerate in Na3H(SO4)2 which has the shortest hydrogen bond but are well separated in K3H(SO4)2 and Rb3H(SO4)2. The OH stretching band profiles in INS are also quite different from those in the infrared. Strong INS bands at 57 and 44 cm−1 for K3H(SO4)2 and Rb3H(SO4)2, respectively, are assigned to 0→1 transitions in quasi-symmetric double-minimum potentials for the OH stretching coordinates. For K3H(SO4)2 the frequency is unaffected by temperature between 2 and 100 K. Potential functions are calculated and the dynamics of the proton transfer are discussed. Infrared spectra are thus dominated by OH stretching transitions in asymmetric double-minimum potentials with low barriers, with relative intensities indicating a large electrical anharmonicity." @default.
• W2017566818 created "2016-06-24" @default.
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• W2017566818 date "1991-06-01" @default.
• W2017566818 modified "2023-09-26" @default.
• W2017566818 title "Proton transfer dynamics in the hydrogen bond. Inelastic neutron scattering, infrared and Raman spectra of Na3H(SO4)2, K3H(SO4)2 and Rb3H(SO4)2" @default.
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• W2017566818 doi "https://doi.org/10.1016/0301-0104(91)89048-f" @default.
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