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Dr. Harris
uses molecular orbital theory to determine the electronic structures of
main-group and transition metal inorganic molecules, particularly those
that may have biological importance. The electronic structures of these
compounds are then used to predict or explain chemical reactivity, especially
electron transfer (re-dox) behavior.
Selected
recent publications:
1. Wermer, J.G.; Gaines, D.F.; Harris, H.A. "Synthesis and Molecular
Structure of Lithium Tri(tert-butyl)beryllium, Li[Be(tert-C4H9)3],"
Organometallics 1988, 7, 2421-2422.
2. Edvenson, G.M.; Gaines, D.F.; Harris, H.A.; Campana, C.F. "NMR
and X-Ray Studies of Penta- and Hexaborane Alkyl Derivative Involving
[3.3.1] and [3.3.2] Ring Systems," Organometallics
1990, 9, 401-408.
3. Harris, H.A.; Kanis, D.R.; Dahl, L.F. "A Comparative Theoretical
Analysis of the Physicochemically Dissimilar Tetrathiolate- and Oxalate-Bridged
Dititanium Series, [(Cp2Ti)2(u-C2X4)]n (Where = S, n = 0, 1-, 2-,; X =
), n = 0, 2+): An Explanation of Electron Delocalization from the Metal
Centers Upon Replacement of the Oxalate Ligand with the Tetrathiooxalate
Ligand," J. Am. Chem. Soc. 1991, 113, 8602-8611.
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