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Title:Modeling photodetachment from HO2− using the pd case of the generalized mixed character molecular orbital model
Author(s):Blackstone, Christopher C
Contributor(s):Sanov, Andrei
Subject(s):Spectroscopy in Atmospheric Chemistry
Abstract:Using the generalized model for photodetachment of electrons from mixed-character molecular orbitals, we gain insight into the nature of the HOMO of HO$_{2}$$^{-}$ by treating it as a coherent superpostion of one p- and one d-type atomic orbital. Fitting the pd model function to the ab initio calculated HOMO of HO$_{2}$$^{-}$ yields a fractional d-character, $\gamma$$_{p}$, of 0.979. The modeled curve of the anisotropy parameter, $\beta$, as a function of electron kinetic energy for a pd-type mixed character orbital is matched to the experimental data.
Issue Date:2016-06-21
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper/Presentation
Rights Information:Copyright 2016 by the authors
Date Available in IDEALS:2016-08-22

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