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NEGATIVE ION PHOTOELECTRON SPECTROSCOPY OF $AI_{3}O^{-}$ AND $AI_{4}O^{-}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/13861

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dc.creator Green, S. M. E. en_US
dc.creator Leopold, D. G. en_US
dc.date.accessioned 2006-06-15T15:40:49Z
dc.date.available 2006-06-15T15:40:49Z
dc.date.issued 1997 en_US
dc.identifier 1997-MG-13 en_US
dc.identifier.uri http://hdl.handle.net/1811/13861
dc.description $^{1}$A. I. Boldyrev, to be published. en_US
dc.description Author Institution: Department of Chemistry, University of Minnesota en_US
dc.description.abstract The 488 nm photoelectron spectra of $Al_{3}O^{-}$ and $Al_{4}O^{-}$ are reported and interpreted in light of ab initio calculations by Alex $Boldyrev^{1}$ on these anions and the corresponding neutral clusters. The interpretations of the photoelectron spectra were facilitated by using the calculated structures, vibrational frequencies, etc. to generate simulated photoelectron spectra for comparison with the observed ones. The $Al_{3}O^{-}$ spectrum displays transitions from the planar $C_{2r}, ^{1}A_{1}$, ground state of the $Al_{3}O^{-}$ anion to the $^{2}B_{2}$ ground state and to one excited electronic state of neutral $Al_{3}O$. The ground state transition displays a harmonic progression in an in-plane Al-O-Al bending mode with a frequency of $160 \pm 10 cm^{-1}$ in the neutral molecule and $205 \pm 15 cm^{-1}$ in the anion. The electron affinity of $Al_{3}O$ is $1.151 \pm 0.005 $eV. The $Al_{4}O^{-}$ spectrum displays two vibrationally resolved transitions from the $C_{2v} {^{2}}A_{1}$ ground state of $Al_{4}O^{-}$ which has an $Al-O-Al_{3}$ structure with the AI-O unit terminally bonded to an equilateral $Al_{3}$ unit, to the low-lying $^{1}A_{1}$ and $^{3}B_{1}$ excited states of neutral $Al_{4}O$. The transition to the calculated $D_{4h}$ ground state of $Al_{4}O$ is not observed due to its poor Franck-Condon overlap with the anion. The excellent agreement of the simulated and observed photoelectron spectra of $Al_{3}O$ and $Al_{4}O^{-}$ provides strong support for the $theoretical^{1}$ results. en_US
dc.format.extent 135606 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title NEGATIVE ION PHOTOELECTRON SPECTROSCOPY OF $AI_{3}O^{-}$ AND $AI_{4}O^{-}$ en_US
dc.type article en_US