Infrared Spectrum and Force Field of Crystalline Hydrogen Peroxide

Abstract

The infrared spectrum of crystalline and vitreous hydrogen peroxide was studied from 300 cm^—1 to 4000 cm^—1. A normal coordinate analysis of the tetragonal crystal with four molecules/unit cell is given. The hydrogen bonds are only slightly weaker than in H₂O but the O–H linewidths are only 80 cm^—1. From the coupled motion of the torsion and the high‐frequency libration, the torsional frequency in the gas is estimated to be about 230 cm^—1.