Department of Chemistry, Umea University, Umea SE-901 87, Sweden.
Environ Sci Technol. 2010 Feb 15;44(4):1185-90. doi: 10.1021/es902803u.
Fourier transform infrared (FTIR) spectral components of three dominant groups of sulfate species in synthetic schwertmannite (Fe(8)O(8)(OH)(6-x)(SO(4))(x)*nH(2)O) are presented. These components were extracted by multivariate curve resolution analysis of spectra obtained from N(2)(g)-dry samples initially reacted in aqueous solutions (pH 3-9) at room temperature. Each component contains complex sets of bands that correspond to mixtures of similar species. We tentatively assign these components to sulfate ions that are hydrogen- (components I and III) and iron-bonded (component I) to schwertmannite. Another component (II) is assigned to protonated sulfate species. Heating experiments to 130 degrees C moreover confirmed this possibility for component II. The spectral components extracted from this study can be used to identify dominant sulfate species in FTIR spectra of naturally occurring schwertmannite samples.
傅里叶变换红外（FTIR）光谱成分的三种主要群体硫酸盐物种在合成水铁矿（Fe（8）O（8）（OH）（6-x）（SO（4））（x）* nH 2 O）提出。这些组件是通过多元曲线分辨分析从 N 2 （g） - 干样品最初在水溶液中反应（pH 值 3-9）在室温下。每个组件包含复杂的乐队，对应于类似物种的混合物。我们暂时将这些组件分配给硫酸盐离子，它们是氢（组件 I 和 III）和铁键（组件 I）与水铁矿。另一个组件（II）被分配到质子化硫酸盐物种。加热实验至 130 摄氏度进一步证实了组件 II 的这种可能性。从这项研究中提取的光谱成分可用于鉴定自然发生的水铁矿样品的 FTIR 光谱中主要的硫酸盐物种。
