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. 2013 Dec;116:518-23. doi: 10.1016/j.saa.2013.07.103. Epub 2013 Aug 8.
The molecular structure of the arsenate mineral ceruleite has been assessed using a combination of Raman and infrared spectroscopy. The most intense band observed at 903 cm(-1) is assigned to the (AsO4)(3-) symmetric stretching vibrational mode. The infrared spectrum shows intense bands at 787, 827 and 886 cm(-1), ascribed to the triply degenerate ν3 antisymmetric stretching vibration. Raman bands observed at 373, 400, 417 and 430 cm(-1) are attributed to the ν2 vibrational mode. Three broad bands for ceruleite found at 3056, 3198 and 3384 cm(-1) are assigned to water OH stretching bands. By using a Libowitzky empirical equation, hydrogen bond distances of 2.65 and 2.75Å are calculated. Vibrational spectra enable the molecular structure of the ceruleite mineral to be determined and whilst similarities exist in the spectral patterns with the roselite mineral group, sufficient differences exist to be able to determine the identification of the minerals.
采用拉曼和红外光谱相结合的方法对砷酸盐矿物蓝铜矿的分子结构进行了评估。在 903 cm(-1)处观察到的最强谱带被分配给(AsO4)(3-)对称伸缩振动模式。红外光谱在 787、827 和 886 cm(-1)处显示出强谱带，归因于三重简并ν3反对称伸缩振动。在 373、400、417 和 430 cm(-1)处观察到的拉曼带归因于ν2振动模式。在 3056、3198 和 3384 cm(-1)处发现的蓝铜矿的三个宽谱带被分配给水 OH 伸缩带。通过使用 Libowitzky 经验方程，计算出氢键距离为 2.65 和 2.75Å。振动光谱能够确定蓝铜矿的分子结构，虽然与玫瑰石矿物群的光谱模式存在相似之处，但存在足够的差异能够确定矿物的鉴定。
