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dc.creatorSioutis, Iliasen_US
dc.creatorTarczay, Györgyen_US
dc.creatorMiller, Terry A.en_US
dc.date.accessioned2008-01-11T21:40:43Z
dc.date.available2008-01-11T21:40:43Z
dc.date.issued2005en_US
dc.identifier2005-MH-15en_US
dc.identifier.urihttp://hdl.handle.net/1811/30349
dc.descriptionAuthor Institution: Laser Spectroscopy Facility, Department of Chemistry, The Ohio State; University, Columbus, OH 43210; Department of General and Inorganic Chemistry, Eotvos University, P. O. Box 32, H-1518 Budapest 112, Hungary; Laser Spectroscopy Facility, Department of Chemistry, The Ohio; State University, Columbus, OH 43210en_US
dc.description.abstractLaser-induced fluorescence (LIF) and dispersed fluorescence (DF) spectra of the cycloheptatrienyl (tropyl) radical (C$_7$H$_7$) have been observed under supersonic jet cooling conditions. The DF emission was collected by pumping different vibronic bands of the $\tilde{A}^2$E$_3^{\prime\prime}\leftarrow \tilde{X}^2$E$_2^{\prime\prime}$ LIF excitation spectrum. Analysis of the DF spectra yields valuable information about the vibrational levels of the ground $\tilde{X}^2$E$_2^{\prime\prime}$ electronic state. In addition to the experimental work, \textit{ab initio} calculations have been performed providing ground and excited state Jahn-Teller parameters; a comprehensive analysis reveals Jahn-Teller activity in 4 $e_3^{\prime}$ modes for the $\tilde{X}^2$E$_2^{\prime\prime}$ state and 3 $e_1^{\prime}$ modes for the $\tilde{A}^2$E$_3^{\prime\prime}$ and provides values for their vibrational frequencies as well as linear Jahn-Teller constants. In addition to the magnitude of the Jahn-Teller distortion, the stabilization energies for both electronic states have been calculated at the CASSCF(7,7) and EOMEA-CCSD levels of theory using different basis sets.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleLASER-INDUCED FLUORESCENCE AND DISPERSED FLUORESCENCE SPECTROSCOPY OF THE TROPYL C$_7$H$_7$ RADICALen_US
dc.typearticleen_US


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