Cyclodimerization of phenyliodoacetylene with elemental tellurium: New pathway to 1.3-ditellurofulvenes

Yury Torubaev, Pradeep Mathur, Badrinath Jha, Shaikh M. Mobin, I. V. Skabitsky

Research output: Contribution to journalArticlepeer-review

4 Scopus citations


Thermal reaction between PhCCI and powdered Te afforded a mixture of (E)-4-iodo-2-(iodo(phenyl)-5-phenyl-1,3-ditellurofulvene (1) and (Z)-4-iodo-2-(iodo(phenyl)-5-phenyl-1-(diiodo),3-ditellurofulvene (2), which was subsequently reduced to (Z)-4-iodo-2-(iodo(phenyl)-5-phenyl-1,3- ditellurofulvene (3). Formation of 1 and 3 as the thermodynamically most stable products has been rationalized using density functional theory (DFT) calculations. Molecular structures of 1-3 were established crystallographically. In the solid state the coordination sphere of both tellurium atoms in 2 is extended by weak intermolecular Te⋯π interactions with the solvate molecule of toluene which completes the pseudo-trigonal bipyramidal coordination geometry around each Te atom and assembles 2 into the chains along the crystallographic c-axis.

Original languageEnglish
Pages (from-to)496-503
Number of pages8
JournalJournal of Organometallic Chemistry
Issue number2
StatePublished - 15 Jan 2011
Externally publishedYes


  • DFT
  • Ditellurofulvene
  • Organotellurium halides
  • Short contacts
  • Te⋯π interactions
  • X-ray crystallography

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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