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dc.creatorRaston, Paul L.en_US
dc.creatorMoradi, Christopher P.en_US
dc.creatorAgarwal, Jayen_US
dc.creatorTurney, Justin. M.en_US
dc.creatorSchaefer, Henry F. IIIen_US
dc.creatorDouberly, Gary E.en_US
dc.date.accessioned2013-07-16T21:45:47Z
dc.date.available2013-07-16T21:45:47Z
dc.date.issued2013en_US
dc.identifier2013-WJ-12en_US
dc.identifier.urihttp://hdl.handle.net/1811/55545
dc.descriptionAuthor Institution: Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556; Center for Computational Chemistry, University of Georgia, Athens, Georgia 30602-2556; Department of Chemistry, University of Georgia, Athens, Georgia 30602-2556en_US
dc.description.abstractThe ethyl radical has been isolated and spectroscopically characterized in $^4$He nanodroplets. The five fundamental CH stretch bands are observed near 3 $\mu$m and have band origins shifted $<$ 1 \wn from those reported for the gas phase species. \textbf{112}, 1823-1834 (2000).}$^,$ \textbf{124}, 054316 (2006).} The symmetric CH$_2$ stretching band (\textit{$\nu_1$}) is rotationally resolved, revealing nuclear spin statistical weights predicted by \textit{G$_{12}$} permutation-inversion group theory. A permanent electric dipole moment of 0.28 (2) D is obtained via the Stark spectrum of the \textit{$\nu_1$} band. The four other CH stretch fundamental bands are broadened in helium droplets and lack rotational fine structure. The approximately 1-2 \wn line widths for these bands are attributed to the homogeneous broadening associated with solvent-mediated rovibrational relaxation dynamics. In addition to these five fundamentals, three \textit{A$_1^{\prime}$} overtone/combination bands are observed and have resolved rotational substructure. These are assigned to the 2\textit{$\nu_{12}$}, \textit{$\nu_4$}+\textit{$\nu_6$}, and 2\textit{$\nu_6$} bands through comparisons to anharmonic frequency computations at the CCSD(T)/cc-pVTZ level of theory.en_US
dc.language.isoenen_US
dc.publisherOhio State Universityen_US
dc.titleTHE ETHYL RADICAL IN SUPERFLUID HELIUM NANODROPLETS: ROVIBRATIONAL SPECTROSCOPY AND AB INITIO CALCLUATIONSen_US
dc.typeArticleen_US
dc.typeImageen_US
dc.typePresentationen_US


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