Abstract
Abstract Infrared spectra of formamide are wholly simulated for the in-plane modes on the basis of a damped oscillator model, where force constants and intensity parameters and damping constants defined in every Cartesian displacement coordinate are simultaneously adjusted. Band constants evaluated from the damped oscillator model are compared with those observed. The present analysis reveals the relation in band widths among all vibrational modes, in other words, the origin of band widths. Large values of the damping constant on H in the NH2 group result from inter-molecular interactions, i.e., hydrogen bonds. Unexpected results of the damping constants on O, C, and N are discussed with van der Waals forces and intra-molecular interactions.
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