Multi-configurational quantum chemical studies of the Tc2X8n- (X = Cl, Br; n=2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-))
Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R.
2012

Abstract

The [Cs(2 + x)][H3O(1 -x)]Tc2Br8 center dot 4.6H(2)O (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 p component in the Tc-Tc bond to be stronger for n = 3.

Details

Title Multi-configurational quantum chemical studies of the Tc2X8n- (X = Cl, Br; n=2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-))
Author(s) Poineau, Frederic ; Forster, Paul M. ; Todorova, Tanya K. ; Gagliardi, Laura ; Sattelberger, Alfred P. ; Czerwinski, Kenneth R.
Published in Dalton Transactions
Volume 41
Pages 2869-2872
Date 2012
Keywords
DOI https://doi.org/10.1039/c2dt11952h
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Laboratories ISIC
Record Appears in Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > UNATTRIBUTED-ISIC - ISIC - Unattributed publications
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Record creation date 2012-03-15

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