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dc.creatorTao, C.en_US
dc.creatorEbben, C.en_US
dc.creatorKo, H. T.en_US
dc.creatorReid, S. A.en_US
dc.creatorWang, Z.en_US
dc.creatorSears, T. J.en_US
dc.date.accessioned2009-07-29T12:58:08Z
dc.date.available2009-07-29T12:58:08Z
dc.date.issued2009en_US
dc.identifier2009-TF-05en_US
dc.identifier.urihttp://hdl.handle.net/1811/38281
dc.descriptionM.~K.~Gilles, K.~M.~Ervin, J.~Ho, and W.~C.~Lineberger, J.~Phys.~Chem. 96, 1130 (1992).en_US
dc.descriptionAuthor Institution: Department of Chemistry, Marquette University, Milwaukee, WI 53233; Department of Chemistry, Brookhaven National Laboratory, Upton, NY 11973en_US
dc.description.abstractAmong the triatomic halocarbenes, only the iodocarbenes remain to be characterized. The search for these elusive species is motivated by a controversy regarding the multiplicity of the ground state. Photoelectron spectra of Lineberger and co-workers suggest a triplet ground state for CHI, at variance with recent $ab~ initio$ studies, which suggest a singlet ground state with a singlet-triplet gap of around 4 kcal mol$^{-1}$. In this work, we have succeeded in finding the spectra of CHI and its deuterated isotopomer using pulsed discharge jet spectroscopy. Rotationally resolved fluorescence excitation spectra are consistent with a singlet-singlet transition, and the derived rotational constants are in good agreement with theoretical predictions. Single vibronic level emission spectra confirm a singlet multiplicity for the ground state, and reveal extensive mixing of the singlet and triplet levels at higher energy. We are able to set a lower limit on the singlet-triplet gap of 4.1 kcal mol$^{-1}$, in excellent agreement with theory. Extrapolation of the observed bending levels for CHI and CDI to a common origin suggests that the origin of the $A$^{1}A^{\prime\prime}$ state lies near 10 500 cm$^{-1}$, and we will report on high resolution measurements near the electronic origin made at Brookhaven National Laboratory.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleFINDING THE ELUSIVE IODOCARBENE: FLUORESCENCE EXCITATION AND SINGLE VIBRONIC LEVEL EMISSION SPECTROSCOPY OF CHIen_US
dc.typeArticleen_US


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