The molecular structures and H-bonding interactions in the phosphinic acid dimer and the complex of phosphinic acid with N, N-dimethylformamide (DMF) were investigated by density functional theory calculations at the B3LYP level of theory. In order to better understand these phenomena, the individual molecules were also studied. The results were compared with previously obtained data for similar H-bonded complexes of phosphoric and phosphorous acids with DMF. Various correlations were found between geometric characteristics and parameters derived from Bader's theory and natural bond orbital analysis.
