Abstract
The pnictogen-bonded systems with general formula – HA/PnX3 (where HA = HBr, HCl, H2O, NH3, CH3NH2, (CH3)2NH, Pn = P, As, Sb, Bi, X = H, F) were investigated with the aim of assessing the influence of the electron density flow upon the pnictogen bond formation on the acidity of resulting system. The results of calculations indicate that said influence is significant in most cases. The formation of HA/PnX3 pnictogen bonded acid may be assisted by creation of hydrogen bonds leading to a further increase in acidity. As measured by the bond degree parameter, pnictogen bonds formed by the studied systems were found to exhibit a covalence degree higher than that of hydrogen bonds. The relationship between the structure and acidity was elucidated with the use of the electron density topology analysis.
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