Internal-Rotation in Hydrogen Peroxide: The Far-Infrared Spectrum and the Determination of the Hindering Potential

Abstract

The torsional oscillation between the two OH groups of the hydrogen peroxide molecule is investigated through a study of the far-infrared absorption spectrum of the molecule. A 1-m-focal-length vacuum grating monochromator was used to scan the region from 15 to 700 cm-I with an average resolution of 0.3 em-I. The observed spectrum contains seven perpendicular-type bands of which only the Q branches are resolved.

Detection of interstellar hydrogen peroxide

“…The subscript indicates the pair of torsional quantum numbers τ involved. The c-type electric dipole transitions must also obey τ = 1 ↔ 3 or τ = 2 ↔ 4 (Hunt et al 1965) and are drawn as downward arrows connecting the upper and lower levels in Fig. 1.…”

“…The twofold barrier gives rise to a quartet of sublevels for each torsional state. These sublevels are denoted τ = 1, 2, 3, 4 (Hunt et al 1965). Moreover, HOOH is a light, slightly asymmetric prolate rotor (belonging to the C † 2h point group, see Hougen 1984, for a discussion), with only c-type Based on observations with the Atacama Pathfinder EXperiment (APEX) telescope.…”

Neutron profile refinement of potassium and rubidium oxalate monoperhydrates

“…In the K sample the peroxide O-O distance is short at 1.355 (8) ,& which is indicative of some partial random substitution of water for hydrogen peroxide (Pedersen, 1972 (Busing & Levy, 1965) to 180 ° in Na2[C204]. H20 2 (Pedersen & Pedersen, 1964) and indeed there is relatively free rotation about the central O--O bond (Hunt, Leacock, Peters & Hecht, 1965) with ~0 very dependent upon molecular environment. Pedersen's (1967) values of ~0 quoted for the title compounds were obtained by making the unjustified assumption of linear H bonds since the H positions could not be determined.…”

Calculation of vertical ionization potentials of hydrogen peroxide by perturbation corrections to Koopmans' theorem

“…The truncation criterion T = 2.6 is used in the present calculation. Figure 1 shows the experimental geometry of hydrogen peroxide (6).…”