Multi-configurational quantum chemical studies of the Tc 2X 8 n- (X = Cl, Br; N = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3 -)

Frederic Poineau, Paul M. Forster, Tanya K. Todorova, Laura Gagliardi, Alfred P. Sattelberger, Kenneth R. Czerwinski

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Abstract

The [Cs (2 + x)][H 3O (1 - x)]Tc 2Br 8·4.6H 2O (x = 0.221) salt has been synthesized and characterized by single crystal XRD. Multi-configurational quantum chemical calculations on Tc 2X 8 n- (X = Cl, Br; n = 2, 3) have been performed and indicate the π component in the Tc-Tc bond to be stronger for n = 3.

Original languageEnglish (US)
Pages (from-to)2869-2872
Number of pages4
JournalDalton Transactions
Volume41
Issue number10
DOIs
StatePublished - Mar 14 2012

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