State Key Laboratory of New Ceramics and Fine Processing, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084, People's Republic of China.
J Phys Chem A. 2012 Jul 12;116(27):7314-8. doi: 10.1021/jp302997h. Epub 2012 Jul 2.
In this paper, the vibrational spectra of copper sulfate hydrates (CuSO(4)·xH(2)O, x = 5, 3, 1, 0) have been investigated with low-temperature 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.
本文通过低温拉曼光谱和太赫兹时域光谱（THz-TDS）研究了硫酸铜水合物（CuSO(4)·xH(2)O，x = 5、3、1、0）的振动光谱。发现 90 至 4000 cm(-1) 之间的四组拉曼带可归因于晶格振动以及铜配合物、硫酸根和水分子的分子内振动。考虑到晶体结构的转变，特别是 3000 至 3500 cm(-1) 之间的谱带，详细讨论了脱水过程中振动光谱的变化，这些谱带归因于水分子的 ν(1)和 ν(3)模式。此外，作为拉曼光谱的补充，0.1-3 THz 的太赫兹光谱表明由于低频晶格振动和氢键引起的吸收。
