I will present our recent studies of metal-metalmultiply bounded compounds, which were performed with multiconfigurationalquantum chemical methods. Specifically, I will describe our first emission resultson Tc2X82- systems (X = Cl, Br) [1] and the ongoing work on di-tungsten anddi-uranium compounds.[2] We determined the electronic spectra of such systemsand compared them with available experimental data.  [1] B. N. Briggs, D. R. McMillin, T. K. Todorova, L.Gagliardi, F., K. R. Czerwinski and A. P. Sattelberger,  First emission studies of Tc2X82-systems (X = Cl, Br) Dalton Transactions, 2010 , in press[2] A. Mulla, A. Dzuback, L. Gagliardi Amulticonfigurational quantum chemical study of on di-tungsten and di-uraniumcompounds, 2010 in preparation

Modeling the ground and excited states of metal-metal compounds with multiconfigurational quantum chemical methods

241st National Meeting (2011)

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