| Abstract
| - Matrix isolation infrared spectroscopy has been combined with MP2/aug‘-cc-pVDZ calculations to characterizethe 1:1 hydrogen-bonded complexes between H2O2 and the hydrogen halides HF, HCl, and HBr. The infraredspectra of the these complexes are characterized by an intense, red-shifted H−X stretching band, as well asslight perturbations to several of the HOOH vibrational bands. For the HF complex, the intermolecularlibrational modes were also observed. The ab initio calculations identified two equilibrium structures on eachsurface, one an open structure, and the other cyclic. These two structures have similar binding energies.However, only the open structure appears to be present in argon and nitrogen matrices. This open structureis preferentially stabilized by interaction of its larger dipole moment with the matrix medium.
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