Faculty of Physics, University of Bialystok, Białystok, Poland.
J Phys Chem A. 2011 Nov 24;115(46):13420-4. doi: 10.1021/jp207587u. Epub 2011 Nov 2.
X-ray absorption spectroscopy measurements were used to determine the structure of the first coordination shell of Fe(II) ions in aqueous and acetone based solutions. Extended X-ray absorption fine structure analysis coupled with ab initio X-ray absorption near edge structure calculations confirms the octahedral coordination of the iron ion in water based solution. Data collected for acetone rich solutions can be reproduced assuming coexistence of the octahedral Fe(H(2)O)(6)(2+) and tetrahedral FeCl(4) complexes. Distortion of the tetrahedral coordination of ion was detected in some of the acetone based solutions.
X 射线吸收光谱测量用于确定水溶液和丙酮溶液中 Fe(II)离子第一配位壳层的结构。扩展 X 射线吸收精细结构分析结合从头算 X 射线吸收近边结构计算证实了铁离子在水基溶液中的八面体配位。对于富含丙酮的溶液收集的数据可以通过假设八面体 Fe(H(2)O)(6)(2+)和四面体FeCl(4)配合物的共存来重现。在一些基于丙酮的溶液中检测到离子的四面体配位扭曲。
