Rare-Earth Elements in Molecular Conductors: Crystal and Electronic Structures

✍ Scribed by Olga N. Kazheva; Nataliya D. Kushch; Oleg A. Dyachenko; Enric Canadell

• Publisher: Elsevier Science
• Year: 2002
• Tongue: English
• Weight: 1008 KB
• Volume: 168
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.2002.9729

✦ Synopsis

The new molecular conductors with some rare-earth metalcomplex anions (ET) 5 [M(NCS) 6 NO 3 ] . C 2 H 5 OH (M=Dy (1), Y (2), Ho (3)) and (TMTSF) 3 [Y(NO 3 ) 5 ] . 2C 6 H 5 Cl (4) as well as a new low-temperature modification of tetra-n-buthylammonium dysprosium(III) complex, (Bu 4 N) 3 [Dy(NCS) 4 (NO 3 ) 2 ] (5) used for the preparation of salt 1 were synthesized and studied by Xray crystallography at 295 and 110 K. Salts 1-3 have a layered crystal structure with a new packing type of the radical cation layers, called an x-type. Electronic structure calculations for the compounds 1-3 showed that the paired ET molecules have a positive charge +1 and the single ET molecules are neutral. The directions of the TMTSF stacks in the neighboring organic layers of 4 are practically perpendicular so that salt 4 can be regarded as a precursor of 2D conductors formed by mutually perpendicular directions of conductivity. # 2002 Elsevier Science (USA)