School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
Spectrochim Acta A Mol Biomol Spectrosc. 2012 Sep;95:258-62. doi: 10.1016/j.saa.2012.04.007. Epub 2012 Apr 21.
The molecular structure of the mixed anion mineral clinotyrolite Ca(2)Cu(9)(As,S)O(4)(OH)(10)·10(H(2)O) has been determined by the combination of Raman and infrared spectroscopy. Characteristic bands associated with arsenate, sulphate and hydroxyl units are identified. Broad bands in the OH stretching region are observed and are resolved into component bands. Estimates of hydrogen bond distances were made using a Libowitzky function and both short and long hydrogen bonds are identified. Two intense Raman bands at 842 and ∼796 cm(-1) are assigned to the ν(1) (AsO(4))(3-) symmetric stretching and ν(3) (AsO(4))(3-) antisymmetric stretching modes. The comparatively sharp Raman band at 980 cm(-1) is assigned to the ν(1) (SO(4))(2-) symmetric stretching mode and a broad Raman spectral profile centred upon 1100 cm(-1) is attributed to the ν(3) (SO(4))(2-) antisymmetric stretching mode.
混合阴离子矿物斜黝铜矿 Ca(2)Cu(9)(As,S)O(4)(OH)(10)·10(H(2)O) 的分子结构已通过拉曼和红外光谱的组合确定。确定了与砷酸盐、硫酸盐和羟基单元相关的特征带。在 OH 伸缩区域观察到宽带，并将其分解为组成带。使用 Libowitzky 函数估算氢键距离，并确定短氢键和长氢键。在 842 和 ∼796 cm(-1) 处的两个强拉曼带分别分配给 ν(1) (AsO(4))(3-)对称伸缩和 ν(3) (AsO(4))(3-)反对称伸缩模式。980 cm(-1)处的比较尖锐的拉曼带分配给 ν(1) (SO(4))(2-)对称伸缩模式，而中心位于 1100 cm(-1)处的宽拉曼光谱轮廓归因于 ν(3) (SO(4))(2-)反对称伸缩模式。
