Mutual Weakening of Hydrogen Bonds Formed by a Water Molecule with Two Proton Donors

Based on results of ab initio (6–31G and ECP) calculations, new data on the mutual effect of hydrogen bonds in (HHal)_n · H₂O · ((CH₃)₂O)_m (n = 0, 1, 2; m = 0, 1, 2) aquacomplexes have been obtained. It is shown that the Hbonds formed by the lone electrons of the oxygen atom of the water molecule (by 20%) weaken each other significantly. The enthalpy of formation of HOH...O(CH₃)₂ bonds depends on which and how many halogen hydride molecules are bound with the water molecule via its lone electrons. But the ratio of the strengths of the HOH...O(CH₃)₂ bonds formed by the fragment (HHal)_n · H₂O (n = 0, 1, 2) with one and with two molecules of dimethyl ether remains virtually constant ( 10%).