METHYL AND HYDROXYL INTERNAL ROTATION IN METHYL HYDROPEROXIDE

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1985

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Ohio State University

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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.

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(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

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