A trigonal-prismatic hexanuclear technetium(II) bromide cluster: Solid-state synthesis and crystallographic and electronic structure

Erik V. Johnstone, Daniel J. Grant, Frederic Poineau, Laura Fox, Paul M. Forster, Longzou Ma, Laura Gagliardi, Kenneth R. Czerwinski, Alfred P. Sattelberger

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

The compound Na{[Tc6Br12]2Br} has been obtained from the decomposition of TcBr4 under vacuum in a Pyrex ampule at 450 °C. The stoichiometry of the compound has been confirmed by energy-dispersive X-ray spectroscopy and its structure determined by single-crystal X-ray diffraction. The compound contains a trigonal-prismatic hexanuclear [Tc6Br12] cluster. The cluster is composed of two triangular Tc3Br6 units linked by multiple Tc-Tc bonds. In the Tc3Br6 unit, the average Tc-Tc distance [2.6845(5) Å] is characteristic of Tc-Tc single bonds, while the average Tc-Tc distance between the two triangular units [2.1735(5) Å] is characteristic of Tc≡Tc triple bonds. The electronic structure of the [Tc6Br12] cluster was studied by first-principles calculations, which confirm the presence of single and triple Tc-Tc bonds in the cluster.

Original languageEnglish (US)
Pages (from-to)5660-5662
Number of pages3
JournalInorganic Chemistry
Volume52
Issue number10
DOIs
StatePublished - May 20 2013

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