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Tetramer structure of a lithium thiocyanate complex in triethylamine

  • Theoretical Inorganic Chemistry
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Abstract

The density functional theory B3LYP/6-31+G(d,p) method in the framework of the discrete-continuum model has been applied to study the tetramer structure of a lithium thiocyanate complex in triethylamine (Et3N) with the use of experimental and calculated manifestations of ion association in the vibrational spectrum of the anion. Analysis of topological characteristics of the electron density distribution at critical point (3,–1) of the [Li+NCS−]4 and [Li+NCS−]4Et3N complexes has been performed.

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Authors and Affiliations

  1. Ufa State Aviation Technical University, Ufa, Bashkortostan, 450008, Russia

    G. P. Mikhailov

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  1. G. P. Mikhailov
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Correspondence to G. P. Mikhailov.

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Original Russian Text © G.P. Mikhailov, 2017, published in Zhurnal Neorganicheskoi Khimii, 2017, Vol. 62, No. 6, pp. 807–811.

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Mikhailov, G.P. Tetramer structure of a lithium thiocyanate complex in triethylamine. Russ. J. Inorg. Chem. 62, 790–794 (2017). https://doi.org/10.1134/S0036023617060158

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  • DOI: https://doi.org/10.1134/S0036023617060158

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