100858-13-7

Basic information

• Product Name: FeOCl(tetrathiatetracene)1/9(toluene)1/24 intercalate
• CAS NO: 100858-13-7
• Molecular Weight: 150.3
• Mol File: 100858-13-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: FeOCl(tetrathiatetracene)1/9(toluene)1/24 intercalate(CAS DataBase Reference)
• NIST Chemistry Reference: FeOCl(tetrathiatetracene)1/9(toluene)1/24 intercalate(100858-13-7)
• EPA Substance Registry System: FeOCl(tetrathiatetracene)1/9(toluene)1/24 intercalate(100858-13-7)

Safety Data

• Hazardous Substances Data: 100858-13-7(Hazardous Substances Data)

Upstream product

• 56509-17-2 iron oxychloride 
• 193-44-2 tetrathiatetracene 

Relevant articles and documents

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

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 A?. TMTTF is oriented perpendicular to the b axis.