Coexistence of two donor packing motifs in the stable molecular metal a-‘ pseudo-k ’-( BEDT-TTF ) 4 ( H 3 O ) [ Fe ( C 2 O 4 ) 3 ] $ C 6 H 4 Br 2 †

Content Provider	Semantic Scholar
Author	Zorina, Leokadiya V. Khasanov, Salavat S. Simonov, Sergey V. Shibaeva, Rimma P. Zverev, Vladimir N. Canadell, Enric Prokhorova, Tatiana G. Yagubskii, Eduard B.
Copyright Year	2011
Abstract	The crystal and electronic structure of a new radical cation salt a-‘pseudo-k’-(BEDTTTF)4H3O[Fe(C2O4)3]$C6H4Br2 have been studied. The new triclinic crystals contain two conducting organic layers which are characterized by different BEDT-TTF packing motifs: a ‘pseudo-k’-layer which is composed of charged dimers and neutral monomers of BEDT-TTF orthogonal to each other and an a-layer which consists of inclined, uniformly charged BEDT-TTF stacks. According to electronic band structure calculations, the ‘pseudo-k’ layer has a large gap between the HOMO bands at the Fermi level and should be associated with an activated conductivity. In contrast, the a-layer is a strongly two-dimensional electronic system with uniform intermolecular interactions. The absence of any nesting in the Fermi surface of the a-layer suggests that this salt should be a stable metal down to low temperatures. Metallic properties have been observed in the crystals in the 300–0.4 K temperature range. Besides, well pronounced Shubnikov–de Haas oscillations of the magnetoresistance have been revealed at B > 8 T. The salt investigated is a new phase in the (BEDT-TTF)4A I[MIII(C2O4)3]G family of organic molecular conductors with paramagnetic anions and different guest solvent molecules G in the anion layer. Structural features of the new a-‘pseudo-k’-crystals and other known phases of the family (b00, ‘pseudo-k’ and a-b00) have been compared.
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Alternate Webpage(s)	http://www.issp.ac.ru/lek/zverev/art71-RE.pdf
Language	English
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Resource Type	Article