PHOTOELECTRON-PHOTOFRAGMENT COINCIDENCE SPECTROSCOPY OF TERT-BUTOXIDE AND THE CARBANION ISOMER
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Date
2012
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Publisher
Ohio State University
Abstract
The photodetachment dynamics of the C$_{4}$H$_{9}$O$^{-}$ anion, produced by proton abstraction from tert-butanol has been studied using a cryogenically-cooled linear electrostatic ion trap to store a fast ion beam}. The ion trap is coupled with a Photoelectron-Photofragment Coincidence spectrometer for a kinematically complete experiment in which dissociative neutral intermediates of known internal energy are created by photodetachment of a stable molecular anion. By collecting all resultant neutral fragments from the dissociation event in coincidence with the detached electron using time- and position-sensitive detectors, the correlated momenta and energies of all products can be determined. At 388, 537, and 600nm, both stable and dissociative photodeatchment processes of C$_{4}$H$_{9}$O$^{-}$ are observed. The stable channel is consistent with previous photodetachment spectrum from \textit{tert}-butoxide anion} as well as a Franck-Condon simulation of the photoelectron spectrum. The dissociative channel is consistent with a methyl loss from an alkylhydroxy radical. Results will be analyzed in the context of calculations employing MP2/6-311++G(d,p) and CBSQ level of theory.
Description
Author Institution: Department of Chemistry and Biochemistry, University of California, San Diego, CA 92093