Jump to main content
Jump to site search

Issue 10, 2012
Previous Article Next Article

Multi-configurational quantum chemical studies of the Tc2X8n (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3)

Author affiliations

Abstract

The [Cs(2 + x)][H3O(1 − x)]Tc2Br8·4.6H2O (x = 0.221) salt has been synthesized and characterized by single crystal XRD. Multi-configurational quantum chemical calculations on Tc2X8n (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.

Graphical abstract: Multi-configurational quantum chemical studies of the Tc2X8n− (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3−)

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 17 Oct 2011, accepted on 12 Dec 2011 and first published on 19 Jan 2012


Article type: Communication
DOI: 10.1039/C2DT11952H
Citation: Dalton Trans., 2012,41, 2869-2872
  •   Request permissions

    Multi-configurational quantum chemical studies of the Tc2X8n (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3)

    F. Poineau, P. M. Forster, T. K. Todorova, L. Gagliardi, A. P. Sattelberger and K. R. Czerwinski, Dalton Trans., 2012, 41, 2869
    DOI: 10.1039/C2DT11952H

Search articles by author