Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide

The structure, stability, and paths of formation of 11 (DMF)(m)(DMF)(n) heterocomplexes (m = 1-4, n = 1, 2) were studied in terms of the B3LYP/6-31 ++G(d, p) density functional calculation. The results of this calculation suggest that: a) addition of hydrogen fluoride molecules to the (HF)(m)DMF cyclic fragment is the basic tendency in complex formation in the HF-DMF system; b) data about the structure and properties of stable molecular forms that prevail in N,N-dimethylformamide Solutions of hydrogen fluoride can be obtained by quantum chemical calculations for (HF)(m)DMF complexes (m = 5-10).