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

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 journal › Article

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 language	English (US)
Pages (from-to)	1209-1215
Number of pages	7
Journal	Inorganic Chemistry
Volume	25
Issue number	8
State	Published - 1986
Externally published	Yes

ASJC Scopus subject areas

Inorganic Chemistry

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Kauzlarich, S. M., Teo, B. K., & Averill, B. A. (1986). Extended X-ray absorption fine structure and powder X-ray diffraction study of FeOCl intercalated with tetrathiafulvalene and related molecules. Inorganic Chemistry, 25(8), 1209-1215.

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

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 {\AA}. TMTTF is oriented perpendicular to the b axis.",

author = "Kauzlarich, {S. M.} and Teo, {B. K.} and Averill, {B. A.}",

year = "1986",

language = "English (US)",

volume = "25",

pages = "1209--1215",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "8",

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T1 - Extended X-ray absorption fine structure and powder X-ray diffraction study of FeOCl intercalated with tetrathiafulvalene and related molecules

AU - Kauzlarich, S. M.

AU - Teo, B. K.

AU - Averill, B. A.

PY - 1986

Y1 - 1986

N2 - 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.

AB - 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.

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