کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7690929 | 1495964 | 2018 | 15 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
On some controversy regarding νOH assignments in CsH2PO4
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
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چکیده انگلیسی
Spectroscopic methods such as Raman scattering and IR absorption, as well as structural methods such as x-ray and n-diffraction, offer rather ambiguous interpretation of the high-frequency phonon spectrum of CsH2PO4 (CDP), especially regarding the proper assignment of proton vibrational modes. Empirical lattice dynamics (LD) simulations of the proton vibrational density of states ((H-VDOS)) in CDP also reveal a discrepancy in the frequency assignments of the OH stretching modes of its two non-equivalent hydrogen bonds. This may be resolved by accounting for the LD simulated directional (H-VDOS) along the three Cartesian axes of CDP, from which the corresponding anisotropy of the proton kinetic energy tensor can be deduced. The results may then be tested by a simple deep inelastic neutron scattering (DINS) measurement on a single crystal of para-electric CDP at room temperature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Vibrational Spectroscopy - Volume 95, March 2018, Pages 75-79
Journal: Vibrational Spectroscopy - Volume 95, March 2018, Pages 75-79
نویسندگان
Y. Finkelstein, R. Moreh, Ya. Shchur,