Crystal structure and properties of tetrathiafulvalenium triiodide

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

Research output: Contribution to journalArticlepeer-review

49 Citations (Scopus)


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 P21/n with four molecules per unit cell. The cell parameters are a = 9.411 (2) Å, b = 18.787 (3) Å, 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 σRT <9 × 10-9 Ω-1 cm-1.

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

ASJC Scopus subject areas

  • Chemistry(all)

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