Hydrogen-bond structures in poly(2-hydroxyethyl methacrylate): Infrared spectroscopy and quantum chemical calculations with model compounds

Hydrogen-bond structures in poly(2-hydroxyethyl methacrylate) (PHEMA) were investigated by infrared (IR) spectroscopy and quantum chemical calculations (QCC). A monomer of 2-hydroxyethyl methacrylate (HEMA) and model compounds of methyl acetate (MA) and methanol (MeOH) were also used. Evidences for OH⋯OC and OH⋯OH types of hydrogen-bonds were observed in an IR spectrum of a PHEMA solid. It was estimated from the present study that 47.3% of OH groups on the PHEMA side chain terminal are engaged in the OH⋯OC type of hydrogen-bond, while the rest contributes to the OH⋯OH type of hydrogen-bond.