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Nonempirical investigation of the influence of the outer-sphere environment on the geometric structure of [AF5]n−

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Abstract

Nonempirical calculations of the electronic structure of the [PF5]2− ion and of the clusters [M5PF5]3+ and [M4PF5]2+ (M=H+, Li+, Na+) have been carried out. The character of the dependence of the geometric parameters of the [PF5]2− ion on the properties and structure of the second coordination sphere has been discussed.

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Authors
  1. V. I. Sergienko
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  2. L. N. Ignat'eva
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  3. A. Yu. Beloliptsev
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Additional information

Institute of Chemistry, Academy of Sciences of the USSR, Far-Eastern Branch. Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 2, pp. 17–22, March–April, 1991.

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Sergienko, V.I., Ignat'eva, L.N. & Beloliptsev, A.Y. Nonempirical investigation of the influence of the outer-sphere environment on the geometric structure of [AF5]n− . J Struct Chem 32, 172–176 (1991). https://doi.org/10.1007/BF00777183

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  • DOI: https://doi.org/10.1007/BF00777183

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