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Anisotropy of intermolecular interactions, band electronic structure, and electrical properties of. beta. -(ET)/sub 2/AuCl/sub 2/. [. beta. -bis(ethylenedithio)tetrathiafulvalene gold chloride]

Journal Article · · J. Am. Chem. Soc.; (United States)
DOI:https://doi.org/10.1021/ja00241a019· OSTI ID:6510055
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A new organic salt, ..beta..-(ET)/sub 2/AuCl/sub 2/, was synthesized, and its structure and physical properties were determined. Here ET refers to bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF or ET). ..beta..-(ET)/sub 2/AuCl/sub 2/ is isostructural with ..beta..-(ET)/sub 2/ICl/sub 2/ and contains the shortest anion, AuCl/sub 2//sup -/, among the ..beta..-(ET)/sub 2/X salts with linear anions, X/sup -/, known so far. Crystal data for ..beta..-(ET)/sub 2/AuCl/sub 2/ are as follows: triclinic, P anti 1, 298 K/120 K, a = 6.651 (1)/6.627 (2) A, b = 9.761 (2)/9.595 (3) A, c = 12.734 (3)/12.662 (4) A, ..cap alpha.. = 86.12 (2)/85.15 (2)/sup 0/, ..beta.. = 100.70 (2)/101.40 (2)/sup 0/, ..gamma.. = 99.41 (2)/98.24 (2)/sup 0/, and V/sub c/ = 800.7 (4)/779.8 (5) A/sup 3/. The electrical conductivities of type I ..beta..-(ET)/sub 2/X salts (i.e., those with short anions X/sup -/ = AuCl/sub 2//sup -/, ICl/sub 2//sup -/) measured by the four-probe technique show that they are semiconductors with thermal activation energy of 0.10 eV. The valence band (i.e., the highest occupied band) of ..beta..-(ET)/sub 2/AuCl/sub 2/, which is half-filled, is calculated to be one-dimensional in character as in the case of ..beta..-(ET)/sub 2/ICl/sub 2/. ESR data of ..beta..-(ET)/sub 2/AuCl/sub 2/ reveal the presence of a phase transition at approx. 33 K, which is somewhat higher than the corresponding temperature (22 K) of ..beta..-(ET)/sub 2/ICl/sub 2/. The ET molecule pairs of type I ..beta..-(ET)/sub 2/X salts are significantly more dimerized than those of type II ..beta..-(ET)/sub 2/X salts (i.e., those with long anions X/sup -/ = IBr/sub 2//sup -/, AuI/sub 2//sup -/, I/sub 3//sup -/).
Research Organization:
Argonne National Lab., IL
DOE Contract Number:
W-31109-ENG-38; FG05-86ER45259
OSTI ID:
6510055
Journal Information:
J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 109:7; ISSN JACSA
Country of Publication:
United States
Language:
English

Similar Records

beta. -(BEDT-TTF)/sub 2/-AuCl/sub 4/: Importance of hydrogen--anion interactions in a descructive phase transition observed at low temperatures
Technical Report · Sat Dec 31 23:00:00 EST 1988 · OSTI ID:6417087
New cation-anion interaction motifs, electronic band structure, and electrical behavior in. beta. -(ET)/sup 2/X salts (X = ICl/sub 2/. pi. and BrICl/sup -/). [. beta. -bis(ethylenedithio)tetrathiafulvalene]
Journal Article · Tue Feb 18 23:00:00 EST 1986 · J. Am. Chem. Soc.; (United States) · OSTI ID:5896844
Importance of intermolecular hydrogen. hydrogen and hydrogen. anion contacts for the lattice softness, the electron-phonon coupling, and the superconducting transition temperatures, T/sub c/, of organic conducting salts. beta. -(ET)/sub 2/X (X/sup -/ = IBr/sub 2//sup -/, AuI/sub 2//sup -/, I/sub 3//sup -/). [ET = bis(ethylenedithio)tetrathiafulvalene]
Journal Article · Tue Jan 06 23:00:00 EST 1987 · J. Am. Chem. Soc.; (United States) · OSTI ID:6874500

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
CHEMICAL PREPARATION
CHLORIDES
CHLORINE COMPOUNDS
COHERENT SCATTERING
CRYSTAL STRUCTURE
DATA
DIFFRACTION
ELECTRICAL PROPERTIES
ELECTRON SPIN RESONANCE
ELECTRONIC STRUCTURE
EXPERIMENTAL DATA
GOLD CHLORIDES
GOLD COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
INFORMATION
LATTICE PARAMETERS
MAGNETIC RESONANCE
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHYSICAL PROPERTIES
RESONANCE
SCATTERING
SYNTHESIS
TRANSITION ELEMENT COMPOUNDS
X-RAY DIFFRACTION