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dc.creatorSunahori, Fumie X.en_US
dc.creatorClouthier, Dennis J.en_US
dc.creatorCarter, Stuarten_US
dc.date.accessioned2008-01-12T13:52:19Z
dc.date.available2008-01-12T13:52:19Z
dc.date.issued2007en_US
dc.identifier2007-MF-04en_US
dc.identifier.urihttp://hdl.handle.net/1811/31389
dc.descriptionAuthor Institution: Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055; Department of Chemistry, University of Reading, Reading RG6 2AD, U.K.en_US
dc.description.abstractSubsequent to our spectroscopic detection of the HBX (X = F, Cl, Br) free radicals,} \underline {\textbf{127}} (10814), 2005.} we have studied the electronic spectrum of the jet-cooled HBF free radical in detail. The $\tilde{A} ^2{A}^{\prime} - \tilde{X} ^2{A}^{\prime \prime}$ band system in the 600 - 700 nm region is assigned as the transition between two Renner-Teller components of a $^2\Pi$ state in which the radical is bent in the ground state and linear in the excited state. High resolution studies of HBF and DBF have allowed us to resolve the spin and asymmetry splittings in the spectra and combination differences have been used to obtain the ground state molecular structure. As an aid to understanding the complex vibrational structure in the spectrum, ground and excited state potential energy surfaces (PESs) have been calculated using high-level ${ab}$ ${initio}$ methods. The vibronic energy levels were obtained from the PESs by variational methods and were used to assign the vibrational quantum numbers of the observed bands of H(D)$^{11}$BF and H(D)$^{10}$BF. Single vibronic level emission spectra have also been recorded to establish the ground state vibrational frequencies.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleSPECTROSCOPIC AND AB INITIO STUDIES OF THE HBF FREE RADICALen_US
dc.typearticleen_US


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