Chemistry Discipline, Faculty of Science and Technology, Queensland University of Technology, Brisbane, Queensland, Australia.
Spectrochim Acta A Mol Biomol Spectrosc. 2011 Mar;78(3):996-1003. doi: 10.1016/j.saa.2010.12.014. Epub 2010 Dec 16.
The NIR spectra of reichenbachite, scholzite and parascholzite have been studied at 298 K. The spectra of the minerals are different, in line with composition and crystal structural variations. Cation substitution effects are significant in their electronic spectra and three distinctly different electronic transition bands are observed in the near-infrared spectra at high wavenumbers in the 12,000-7600 cm(-1) spectral region. Reichenbachite electronic spectrum is characterised by Cu(II) transition bands at 9755 and 7520 cm(-1). A broad spectral feature observed for ferrous ion in the 12,000-9000 cm(-1) region both in scholzite and parascholzite. Some what similarities in the vibrational spectra of the three phosphate minerals are observed particularly in the OH stretching region. The observation of strong band at 5090 cm(-1) indicates strong hydrogen bonding in the structure of the dimorphs, scholzite and parascholzite. The three phosphates exhibit overlapping bands in the 4800-4000 cm(-1) region resulting from the combinations of vibrational modes of (PO(4))(3-) units.
对镍华、蓝锥矿和柱硫锌矿的近红外光谱在 298 K 下进行了研究。这些矿物的光谱不同，与成分和晶体结构的变化一致。阳离子取代效应对它们的电子光谱有显著影响，在近红外光谱的高波数区域（12000-7600 cm(-1)）中观察到三个明显不同的电子跃迁带。镍华的电子光谱特征在于 9755 和 7520 cm(-1)处的 Cu(II)跃迁带。在蓝锥矿和柱硫锌矿中，亚铁离子在 12000-9000 cm(-1)区域都观察到一个宽的光谱特征。在三种磷酸盐矿物的振动光谱中观察到一些相似之处，特别是在 OH 伸缩区域。在 5090 cm(-1)处观察到强带表明二形结构、蓝锥矿和柱硫锌矿中存在强氢键。三种磷酸盐在 4800-4000 cm(-1)区域存在重叠带，这是由于（PO(4))(3-)单元的振动模式组合所致。
