title: Multi-configurational quantum chemical studies of the Tc2X8(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3-).
abstract: The [Cs((2 + x))][H(3)O((1 - x))]Tc(2)Br(8)·4.6H(2)O (x = 0.221) salt has been synthesized and characterized by single crystal XRD. Multi-configurational quantum chemical calculations on Tc(2)X(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.
authors.affiliation: Department of Chemistry, University of Nevada Las Vegas, Las Vegas, NV 89154, USA. poineauf@unlv.nevada.edu
authors.forename: Frederic
authors.initials: F
authors.lastname: Poineau
authors.forename: Paul M
authors.initials: PM
authors.lastname: Forster
authors.forename: Tanya K
authors.initials: TK
authors.lastname: Todorova
authors.forename: Laura
authors.initials: L
authors.lastname: Gagliardi
authors.forename: Alfred P
authors.initials: AP
authors.lastname: Sattelberger
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Czerwinski