Effective charges on elements of the first transition period in complex ions |
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| Authors: | Yatsimirskii K B Volchenskova I I |
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| Institution: | (1) Institute of General and Inorganic Chemistry, AS UkrSSR, Kiev |
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| Abstract: | The semiempirical MO method is applied with an angular model to evaluate the overlap integrals, which are used in calculating the Coulomb integrals and the effective charges for elements of the first transition group in 65 compounds with H2O, NH3, F–, Cl–, and Br–. The effective charges are found to decrease regularly in the sequence F–>H2O>NH3>Cl–>Br–, while the changes with the transition element are found to agree with the known properties of the compounds. |
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