Abstract
Unparameterized Fenske-Hall molecular orbital calculations were performed on the title complex and its chlorine-oxidized analogue to help determine why the Au-Pt bondlengths decrease from 3.03 Å to 2.66 Å upon oxidation. The results indicate that the oxidation withdraws electron density from a metal-metal antibonding molecular orbital while populating a previously unoccupied metal-metal bonding orbital.
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© 1990 Springer Science+Business Media New York
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Sargent, A.L., Hall, M.B. (1990). Theoretical Investigations of the Metal-Metal Interactions within the Trinuclear Au2Pt(CH2(S)PH2)4 Complex. In: Fackler, J.P. (eds) Metal-Metal Bonds and Clusters in Chemistry and Catalysis. Industry-University Cooperative Chemistry Program Symposia. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-2492-6_33
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DOI: https://doi.org/10.1007/978-1-4899-2492-6_33
Publisher Name: Springer, Boston, MA
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