METHYL AND HYDROXYL INTERNAL ROTATION IN METHYL HYDROPEROXIDE
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Date
1985
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Ohio State University
Abstract
Recently, preliminary investigations on the microwave and millimeterwave spectra of methyl hydroperoxide $(CH_{3}OOH)$ have been reported (1). The two lowest CH-torsional states $O^{+}$ and $O^{-}$ are coupled by strong Coriolis interactions. ``Forbidden” transitions ($O^{+} \rightarrow O^{-}$ with $\Delta K_{C} = 1$) have been observed when asymmetry splitting and $CH_{3}$-rotational splitting are comparable in magnitude. In the present contribution an accurate Hamiltonian is presented, which describes the $O^{+}$ and $O^{-}$ states. A 22-term Hamiltonian was adjusted to 160 experimental data; the average difference between observed and calculated transition frequencies was 140 kHz. The energy difference between the rotational ground state levels of $O^{+}$ and $O^{-}$ was determined to be 448760.3(1) MHz. $CH_{3}$- rotational splittings have been analysed and were treated using perturbation theory.
Description
(1) 8th Colloquium on High Resolution Mol. Spectrosc., Tours, 1983, paper H13. 39th Symposium on Molecular Spectroscopy, Columbus OH, 1984, paper MG5.
Author Institution: Laboratorium f\""ur Physikalische Chemie, ETH-Z\""urich, ETH-Zentrum; Laboratorium f\""ur Physikalische Chemie, ETH-Z\""urich, ETH-Zentrum; Physikalisch-Chemisches Institut, Justus-Liebig-Universit\'at
Author Institution: Laboratorium f\""ur Physikalische Chemie, ETH-Z\""urich, ETH-Zentrum; Laboratorium f\""ur Physikalische Chemie, ETH-Z\""urich, ETH-Zentrum; Physikalisch-Chemisches Institut, Justus-Liebig-Universit\'at