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| Content Provider | Royal Society of Chemistry (RSC) |
|---|---|
| Author | Friend, Richard H. Chasseau, Daniel Marsden, Ian R. Rosseinsky, Matthew J. Ducasse, Laurent Day, Peter Gaultier, Jacques Kurmoo, Mohamedally Bravic, George |
| Copyright Year | 1993 |
| Abstract | ([2H8]BEDT-TTF)4Cl2·6D2O [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] has been obtained as long black needles by electrocrystallisation of [2H8]BEDT-TTF in CH2Cl2 in the presence of [(C2H5)4N]Cl·D2O. It crystallises in the orthorhombic space group Pcca, a= 32.575(2)Å, b= 6.709(1)Å, c= 14.854(2)Å, V= 3246(1)Å3 and Z= 2. The structure consists of twisted (dihedral angle of 29°) pairs of crystallographically equivalent BEDT-TTF cations forming stacks parallel to c with close intermolecular S ⋯ S contacts along b, resulting in layers. A layered network of chlorine and water molecules linked by weak hydrogen bonds alternates with the layers of organic donor molecules. The conductivity parallel to b is 40 S cm–1 at 300 K, almost constant with decreasing temperature to ca. 160 K. Below 150 K the conductivity shows a temperature-dependent activation energy, ranging from 14 meV at 140 K to 6 meV at 10 K. It increases linearly by a factor of 3 by applying a pressure up to 24 kbar; the transition temperature decreases from 160 to 20 K. The anisotropy of the microwave conductivity is 0.5:240:3.6 S cm–1. The spin and static susceptibilities measured, respectively, by electron paramagnetic resonance (EPR) and Faraday magnetometry are temperature independent between 70 and 300 K, and obey a Curie–Weiss law below 50 K with θ=–4 K. The calculated band structure and Fermi surface show twodimensional character of both electron and hole pockets, with the possibility of 2kF nesting. |
| Starting Page | 801 |
| Ending Page | 810 |
| Page Count | 10 |
| File Format | |
| ISSN | 09599428 |
| Volume Number | 3 |
| Issue Number | 8 |
| Journal | Journal of Materials Chemistry |
| DOI | 10.1039/JM9930300801 |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Access Restriction | Open |
| Subject Keyword | EPR Fermi Curie Weiss Pcca Tetrathiafulvalene Orthorhombic crystal system Space group Dihedral angle Chlorine Hydrogen bond Activation energy Anisotropy Microwave Electron paramagnetic resonance Michael Faraday Magnetometer Curie\u2013Weiss law Electronic band structure Fermi surface |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Materials Chemistry |
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