The kinds and diversity of hydrogen bonds in MgCl2/CH3OH solutions have been investigated using NIR spectroscopy. It was found that the Mg2＋ interacted with methanol, which mainly led to the diversity of hydrogen bonds in methanol solvent. The population of δ-OH bonds decreased and that of γ-OH bonds increased with rising the concentration of MgCl2, however the sum of OH bonds kept relatively constant. Based on the deconvolution and quantitative calculation on obtained spectra, apparent solvation numbers of 5.5～5.0 for Mg2＋ have been inferred at different molalities of MgCl2. Moreover the optimized structures and some thermodynamic properties were obtained by DFT calculation. It was inferred that Cl－ should interact with methanol by hydrogen bonds.

Key words: methanol, NIR, ion solvation, hydrogen bond, quantum chemistry