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Composition and structure of heteroassociates formed in the HF-N, N-dimethylformamide binary liquid system

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Abstract

The concentration dependence of the normalized (to the total number of moles of the components per liter) absorbance of HF solutions in DMF in ratios from 1: 12 to 7: 1 was analyzed. In the binary liquid system (BLS) under consideration, there are molecular complexes with stoichiometric ratios of 1: 1 and ≥10: 1 along with heteroassociates (HA) with the HF to DMF ratio of 4: 1, which have been found earlier. For each HA, the concentration range, in which HA is formed in BLS, was estimated, and the positions of the stretching bands of HF were determined. The optimal configurations and the vibrational frequencies of the molecular complexes (HF) m ·(DMF) n (m = 1, 2, 4, 8; n = 1, 2) with different topologies were calculated using the density functional theory (B3LYP/6-31++G(d,p)). The relative stability and structural features of the latter complexes were investigated. The complex formation in the HF-DMF system was analyzed. The structures of HA with stoichiometric ratios of 1: 1 and 4: 1 were determined by comparing the results of calculations and experimental data.

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Authors and Affiliations

  1. N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 31 Leninsky prosp., 119991, Moscow, Russian Federation

    E. G. Tarakanova & G. V. Yukhnevich

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  1. E. G. Tarakanova
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  2. G. V. Yukhnevich
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Correspondence to E. G. Tarakanova.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 79–86, January, 2011.

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Tarakanova, E.G., Yukhnevich, G.V. Composition and structure of heteroassociates formed in the HF-N, N-dimethylformamide binary liquid system. Russ Chem Bull 60, 81–88 (2011). https://doi.org/10.1007/s11172-011-0011-4

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