Abstract
The existence of a hydrogen bond in which a methyl group of the (MeOH)2H+ ion acts as a proton donor is examined. The fundamental vibration frequencies of this ion were calculated for different numbers and strengths of CH…O bonds. The atomic charges in neutral ((MeOH)n,n=1–4) and protonated ((MeOH)mH+,m=2–6) associates of methanol molecules were also calculated. The experimentally observed decrease in the v(CH) vibration frequencies of the (MeOH)2H+ ion to 2890 cm−1 and 2760 cm−1 is attributable to the fact that each methyl group of the ion is involved in formation of two CH…O bonds with strength of −12.5 kJ mol−1. The proton-donating ability of the CH bond depends on the charge on its H atom; however, it does not correlate with the dipole moment of this bond.
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