Hypervalent Tellurium in One-Dimensional Extended Structures Containing Te5n- Units

Joel Bernstein, Roald Hoffmann

Research output: Contribution to journalArticlepeer-review

29 Scopus citations


The electronic structure of three one-dimensional chains containing square-planar Te5n- units is presented, with employment of both molecular and band calculations. Two chains containing only Te52- in different conformations and one in which they are modulated by Sn are treated. The Rb2Te5 or Cs2Te5 and K2SnTe5 structures are thus modeled. A three-center, four-electron model can be used to understand the elongation of the Te-Te bands within the Te5 unit, whose inherent instability is overcome by the formation of the chains. It is suggested how oxidation of the chain, for instance, by suitable choice of synthetic conditions, would alter the geometric physical properties of these polymers.

Original languageEnglish
Pages (from-to)4100-4108
Number of pages9
JournalInorganic Chemistry
Issue number24
StatePublished - 1 Nov 1985

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


Dive into the research topics of 'Hypervalent Tellurium in One-Dimensional Extended Structures Containing Te5n- Units'. Together they form a unique fingerprint.

Cite this