An ab initio MO calculation for the bonding structure of (Ni(CN)4)2-.
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概要
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An ab initio MO calculation of [Ni(CN)<SUB>4</SUB>]<SUP>2−</SUP> has been carried out with a double zeta basis set. The nickel-cyanide interactions are discussed and the electronic change occurring on the coordination of CN<SUP>−</SUP> to Ni<SUP>2+</SUP> is shown by using the MO contours and the electron-density difference map. The map shows σ donation from the cyanide orbitals and π back-donation from the metal d<SUB>xy</SUB> orbital.
- 公益社団法人 日本化学会の論文
著者
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Yamatera Hideo
Department of Chemistry, Faculty of Science, Nagoya University
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Kashiwagi Hiroshi
Institute for Molecular Science
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Sano Mitsuru
Laboratory of Inorganic Chemistry, Faculty of General Education, Nagoya University
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Sano Mitsuru
Laboratory of Inorganic Chemistry, College of General Education, Nagoya University
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