Hydrogen bond relaxation dynamics and the associated vibronic and volumetric anomalies of H2O upon frozen

Zhang, Xi; Fu, Xiaojian; Wen, Yu; Kuo, Jer-Lai; Shen, Zexiang; Zhou, Ji; Sun, Chang Q.

doi:10.48550/arxiv.1109.3958

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“…Research shows that the Raman frequency of a hydrogen bond in liquid water is about 75 cm −1 and shifts suddenly to 220 cm −1 when ice is formed and that in some organic hydrates, their frequencies are usually below 100 cm −1 . 16,21 In such a frequency range, compared with the limited application of Raman spectroscopy and IR spectroscopy, terahertz time domain spectroscopy exhibits its advantages with highfrequency resolution. Apart from the hydrogen bond, lowfrequency lattice phonons also respond to THz waves and cause obvious absorptions.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Vibrational Spectra of Copper Sulfate Hydrates Investigated with Low-Temperature Raman Spectroscopy and Terahertz Time Domain Spectroscopy

Yang

Sun

et al. 2012

J. Phys. Chem. A

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In this paper, the vibrational spectra of copper sulfate hydrates (CuSO 4 •xH 2 O, x = 5, 3, 1, 0) have been investigated with lowtemperature Raman spectroscopy and terahertz time domain spectroscopy (THz-TDS). It is found that the four groups of Raman bands between 90 and 4000 cm −1 can be assigned to lattice vibration as well as intramolecular vibrations of a copper complex, sulfate group, and water molecules. The variation of vibrational spectra during the dehydrated process are discussed in detail considering the transformation of the crystal structure, especially the bands between 3000 and 3500 cm −1 , which are attributed to the ν 1 and ν 3 modes of water molecules. In addition, as a complement of Raman spectra, the THz spectra at 0.1−3 THz indicate the absorption due to the low-frequency lattice vibration and hydrogen bond.

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Section: ■ Results and Discussionmentioning

confidence: 99%