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Neutron diffraction evidence for unusual cohesive H-bonding interactions in. beta. -(BEDT-TTF)/sub 2/X organic superconductors. [. beta. -bis(ethylenedithio)tetrathia fulvalene X; X = AuI/sub 2/ or I/sub 3/]

Journal Article · · J. Am. Chem. Soc.; (United States)
DOI:https://doi.org/10.1021/ja00273a061· OSTI ID:5534174
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In order to determine the nature and exact geometries of the interionic interactions that are responsible for crystal cohesion between the sheetlike networks of radical cation molecules and the halide-containing anions in the layered organic conductors of the type ..beta..-(ET)/sub 2/X, the authors have undertaken low-temperature (20 K) neutron diffraction studies of the X/sup -/ = AuI/sub 2//sup -/ and I/sub 3//sup -/ salts. For these synthetic organic superconductors, ..beta..-(ET)/sub 2/AuI/sub 2/ has the highest T/sub c/ (approx. 5K) at ambient pressure, and ..beta..-(ET)/sub 2/I/sub 3/ has the highest T/sub c/ (approx. 8 K) under a nonhydrostatic pressure of 1.3 kbar. The discovery of very short H...I contacts in ..beta..-(ET)/sub 2/AuI/sub 2/ is surprising because such interactions are generally assumed to be weak. There are important implications for the design and synthesis of new ..beta..-(ET)/sub 2/X systems where the X/sub n//sup -/ anions contain halide (I, Br, Cl, F) atoms, namely, that H-bonding interactions of the type H...X play a major role in determining the crystal cohesive forces between donors and anions thereby controlling compound formation.
Research Organization:
Argonne National Lab., IL
DOE Contract Number:
W-31109-ENG-38; AC02-76CH00016
OSTI ID:
5534174
Journal Information:
J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 108:13; ISSN JACSA
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
360603* -- Materials-- Properties
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
COHERENT SCATTERING
DATA
DIFFRACTION
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
EXPERIMENTAL DATA
GOLD COMPOUNDS
GOLD IODIDES
HALIDES
HALOGEN COMPOUNDS
HETEROCYCLIC COMPOUNDS
INFORMATION
INTERMOLECULAR FORCES
IODIDES
IODINE COMPOUNDS
NEUTRON DIFFRACTION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHYSICAL PROPERTIES
SCATTERING
SUPERCONDUCTIVITY
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
TTF