Crystal Structure and Properties of Tetrathiafulvalenium Triiodide

Robert C. Teitelbaum, Tobin J. Marks, Carroll K. Johnson

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49 Scopus citations


Slow cooling of a hot acetonitrile solution of tetrathiafulvalene (TTF) and iodine yields a mixture of crystalline products including monoclinic crystals of high iodine content: TTF-I3. A single-crystal X-ray structure analysis has been carried out on these crystals of symmetry P2 1/n with four molecules per unit cell. The cell parameters are a = 9.411 (2) k,b = 18.787 (3) k,c = 7.771 (1) Å, β = 103.2 (1)°, and V = 1374 (1) Å3. The structure consists of integrated stacks along the (102) axis with TTF+ dimers interspersed between pairs of triiodide ions. Consistent with the structural results, single-crystal measurements indicate that this material exhibits high electrical resistivity with < 9 X -9 -1 cm-1.

Original languageEnglish (US)
Pages (from-to)2986-2989
Number of pages4
JournalJournal of the American Chemical Society
Issue number9
StatePublished - Apr 1980

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry


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