Trigonally-Compressed Octahedral Geometry of hexaamminecobalt(III) Complex Cation in Aqueous Solution Investigated from the Electronic Spectra
Trigonally-Compressed Octahedral Geometry of hexaamminecobalt(III) Complex Cation in Aqueous Solution Investigated from the Electronic Spectra
复制标题
从电子光谱研究水溶液中六氨合钴(III)络合物阳离子的三角压缩八面体几何结构
DOI：
10.1080/00387010.2017.1295272
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发表时间：
2017
影响因子：
1.7
通讯作者：
Hiroki Sugawara
中科院分区：
文献类型：
--
作者：
Hiroshi Sakiyama;Yuichiro Ishiyama;Hiroki Sugawara
Electronic spectra of hexaamminecobalt(III) complex cation in aqueous solution were analyzed to obtain spectral components. Subsequently, based on the spectral components, the coordination geometry around the cobalt(III) ion was investigated, using the reverse angular overlap model method. The result indicates that the geometry is a trigonally compressed octahedron with the polar angle of 57.9 ± 1.0° underD3dsymmetry, where the polar angle is the angle between the trigonal axis and the Co–N bond. From this angle, the top and side N–Co–N bond angles are calculated as 94.4° and 85.6°, respectively. The density functional theory computation supported this trigonally compressed structure in aqueous solution.
