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首页> 外文期刊>International Journal of Quantum Chemistry >Impact of structural features on pigment properties of alpha-Fe2O3 haematite
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Impact of structural features on pigment properties of alpha-Fe2O3 haematite

机译:结构特征对α-Fe2O3赤铁矿颜料性能的影响

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Various alpha-Fe2O3 haematite samples were synthesized by precipitation routes (Under standard or hydrothermal conditions) followed by thermal treatments under air. The trigonal distortion (C-3v point group) of the Fe3+ octahedral sites, which depends oil the synthesis route and thermal treatment, was investigated by X-ray diffraction, Mossbauer spectroscopy and visible-neat infrared (Vis-NIR) spectroscopy. The correlation between diffuse reflectance spectra and structural features of the haematite samples is reported and discussed herein. The slight increase of the average distortion of the Fe3+ octahedral sites, which depends on the annealing temperature of the precipitated sample, directly linked to the crystallite size, contrasts with the larger reduction of the sites distortion for the compound prepared by hydrothermal route due to the occurrence of hydroxyl groups substituted for O2- anions as well as Fe3+ cationic vacancies. On a local point of view, as shown by Mossbauer spectroscopy, the Fe3+ octahedral sites distortion decreases from the centre towards the surface of the grains. Then the smaller the grain size, the lower the average site distortion. Finally, the reduction of the octahedral distortion was directly correlated to the two Fe-O charge transfer bands in the visible range and the colour of as-prepared haematites. (c) 2008 Elsevier Inc. All rights reserved.
机译:通过沉淀途径(在标准或水热条件下),然后在空气中进行热处理,合成了各种α-Fe2O3赤铁矿样品。通过X射线衍射,Mossbauer光谱和可见光红外(Vis-NIR)光谱研究了Fe3 +八面体位点的三角畸变(C-3v点组),该畸变取决于油的合成路线和热处理。本文报道并讨论了赤铁矿样品的漫反射光谱与结构特征之间的相关性。 Fe3 +八面体位点的平均变形略有增加,这取决于沉淀样品的退火温度,该温度直接与微晶尺寸有关,这与水热法制得的化合物的位点变形减小得较大相比,由于取代O2-阴离子的羟基以及Fe3 +阳离子空位。从局部角度来看,如Mossbauer光谱所示,Fe3 +八面体位点的变形从晶粒的中心向表面减小。然后,晶粒尺寸越小,平均位点变形越低。最后,八面体形变的减少与可见范围内的两个Fe-O电荷转移带和所制备的赤铁矿的颜色直接相关。 (c)2008 Elsevier Inc.保留所有权利。

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