Torsion-Rotation Energy Levels, Hindering Potential, and Inertial Parameters of the First Excited Vibrational State of the Antisymmetric O-H Stretch in Hydrogen Peroxide

✍ Scribed by W.B. Cook; R.H. Hunt; W.N. Shelton; F.A. Flaherty

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 1001 KB
• Volume: 171
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1995.1104

✦ Synopsis

Torsion-rotation energy levels of the excited vibrational state of the antisymmetric (\mathrm{OH})-stretch fundamental (\nu_{5}) of hydrogen peroxide are reported. These levels are determined from (1.24 \mathrm{~m}) path difference Fourier transform spectra taken between 3200 and (4200 \mathrm{~cm}^{-1}) analyzed in conjunction with published ground vibrational state levels. The results include torsional states with (n=0,1), 2. Many of the levels are perturbed. An analysis of these levels for (J<11, K<7) with secondorder perturbation theory based on a Hamiltonian used in earlier work to study the ground vibrational state yields molecular bond parameters and a hindering potential for the excited vibrational state. Perturbations preclude a definite determination of any cis splitting for (n=2). A fit of the experimental torsional levels with a one-dimensional torsional Hamiltonian gives a trans barrier height of (429 \mathrm{~cm}^{-1}) and a cis barrier height of about (2500 \mathrm{~cm}^{-1}). (c) 1995 Academic Press. Inc.