Extended X-ray absorption fine structure and powder X-ray diffraction study of FeOCl intercalated with tetrathiafulvalene and related molecules

S. M. Kauzlarich, B. K. Teo, B. A. Averill

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

For FeOCl and its intercalates, FeOCl(TTF)1/8.5 (TTF = tetrathiafulvalene), FeOCl(TMTTF)1/13 (TMTTF = tetramethylTTF), FeOCl(TTN)1/9(toluene)1/23 (TTN = tetrathianaphthalene), and FeOCl(TTT)1/9(toluene)1/24 (TTT = tetrathiatetracene), the combination of powder X-ray diffraction data and Fe K-edge EXAFS (extended X-ray absorption fine structure) spectroscopy provides a consistent picture of the structural changes of the FeOCl host upon intercalation. On the basis of these results and the analysis of neutron diffraction data, a structural model is proposed in which the intercalant TTF is parallel to the b axis (interlayer axis) and the central C=C bond is aligned with the c axis of FeOCl. TTN and TTT are also oriented parallel to the b axis, additionally tilted at an angle φ ≅ 30° (φ is the angle between the ac plane and the S-S bond) to accommodate the short intramolecular S-S distance of 2.10 Å. TMTTF is oriented perpendicular to the b axis.

Original languageEnglish (US)
Pages (from-to)1209-1215
Number of pages7
JournalInorganic Chemistry
Volume25
Issue number8
StatePublished - 1986
Externally publishedYes

ASJC Scopus subject areas

  • Inorganic Chemistry

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