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ROTATIONAL AND FINE STRUCTURE ANALYSES OF THE HIGH-RESOLUTION LIF SPECTRA OF THE DEUTERATED ISOTOPOMERS OF THE METHOXY RADICAL

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Title: ROTATIONAL AND FINE STRUCTURE ANALYSES OF THE HIGH-RESOLUTION LIF SPECTRA OF THE DEUTERATED ISOTOPOMERS OF THE METHOXY RADICAL
Creators: Liu, Jinjun; Yi, John T.; Stakhursky, Vadim; Miller, Terry A.; Melnik, Dmitry G.; Curl, R. F., Jr.
Issue Date: 2006
Abstract: \maketitle The methoxy radical, CH$_{3}$O, is one of the mostinteresting and most widely-studied free radicals. It provides a benchmark case of the Jahn-Teller effect in a molecule with spin-orbit interaction. The partial deuteration of the methoxy radical breaks the molecular symmetry, thereby reducing the electronic orbital angular momentum in the $\tilde{X}^{2}$E ground state by introducing new terms in the rovibronic Hamiltonian of CH$_{3}$O. The resolved rotational and fine structure in the LIF spectra of CHD$_{2}$O and CH$_{2}$DO has been assigned and analyzed by simulating and fitting the 3$_0 ^2$ and (6$^{\prime}$)$_0 ^1$ bands of the $\tilde{A}^{2}$A$_1$--$\tilde{X}^{2}$E$_{3/2}$ transition for each isotopomer, providing molecular constants and energy levels for both states of each isotopomer. The ground state results were used to predict the previously observed $\tilde{X}$ state microwave spectrum.}$ International Symposium on Molecular Spectroscopy, 2004.} This prediction is consistent within the experimental accuracy of the LIF experiment. As an additional control, the 3$_0^2$ and 6$_0^1$ bands of the $\tilde{A}^{2}$A$_1$--$\tilde{X}^{2}$E$_{3/2}$ transition for CH$_{3}$O and CD$_{3}$O were analyzed using the same method.} \underline{\textbf{81}}, 122 (1984).} Efforts are underway to fit simultaneously the LIF, microwave, and possibly SEP data of the ground state of these isotopomers to a rotational and fine structure Hamiltonian.
URI: http://hdl.handle.net/1811/30742
Other Identifiers: 2006-TJ-05
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