The electronic structure of [Te15Br4][MoOBr4]2 and some general aspects of bonding in "classical" and hypervalent tellurium halides

Chemische Berichte

Volumn 130, Issue 4, 1997, Pages 463-472

  Landrum, Gregory A ^a   Goldbcrg, Norman ^a   Hoffmann, Roald ^a  

^a Department of Molecular Biology and Genetics   (United States)

Author keywords

Band structure; Hypervalent compounds; Molecular orbital theory; Polycations; Tellurium

Indexed keywords

EID: 33745428511     PISSN: 00092940     EISSN: None     Source Type: Journal    
DOI: 10.1002/cber.19971300405     Document Type: Article

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16. The electronic structure, properties, and distortions of this type of chain have previously been analyzed in great detail in Reference 34, so we will not dwell on them here.
17. [14-15] For example, the Te-Te and Te-Br distances for X = Br are (in Angstroms): Tel-Te2 = 2.84 (2.85), Te2-Te3 = 2.92 (2.85), Te3-Te4 = 2.81 (2.74), Tel-Brl = 2.90 (3.00), Te4-Br = 3.02 (3.29). Distances for [rei5Br4]2+ are in parentheses. The Te-Br distances are significantly longer in [Tei5Br4]2+, however as will become clear later, this does not have a large impact on the electronic structure since the Te-Br interactions are primarily electrostatic.
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