Abstract
The salts based on dimethylethylenedithio-tetrathiafulvalene (or DIMET) and centrosymmetrical anions MF−6(M=As, P, Sb) exhibit rather striking differences. The P and As salts crystallize as needles (as do their TMTTF homologs) but the Sb compound, as rods. Room-temperature electrical conductivities are very different (σ(P)≃σ(As)≃10Ω−1cm−1; σ(Sb)≃10−3Ω−1cm−1), as well are their low-temperature ground-states1 (spin-Peierls below 17 K for As constrating with an antiferromagnetic ordering under 10 K for Sb). An usual way to characterize organic compounds is to determine their transfer integrals wchich allow to calculate their band structure. We compare in this paper the transfer integrals of (DIMET)2AsF6 and (DIMET)2SbF6.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
R. Laversanne, C. Coulon, J. Amiell, E. Dupart, P. Delhaès, J.P. Morand and C. Manigand, Physical properties of radical cation salts of the dimethylethylenedithioletrathiafulvalene, Solid State Commun. 58: 765 (1986).
L. Ducasse, M. Abderrabba, J. Hoarau, M. Pesquer, B. Gallois and J. Gaultier, Temperature dependence of the transfer integrals in the (TMTSF)2X and (TMTTF)2X families, J. Phys. C.: Solid State Phys. 19: 3805 (1986).
B. Gallois, J. Gaultier, F. Bechtell, D. Chasseau, C. Hauw and L. Ducasse, (DMEDT-TTF)2X: structure of two radical cation salts with centrosymmetrical anions X=SbF6− and X=AsF6−, Synth. Metals, 19: 419 (1987).
J.A. Pople and D.L. Beveridge in “Approximate Molecular Orbital theory”, J.L. Smith and A. Stryker-Rodda, Mc Graw Hill, New-York (1970).
R. Laversanne, in “Localisation électronique et mise en ordre des spins dans les conducteurs organiques”, Thesis, Bordeaux (1987).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1987 Springer Science+Business Media New York
About this chapter
Cite this chapter
Ducasse, L., Abderrabba, M., Fritsch, A., Gallois, B. (1987). Transfer Integrals in (DIMET)2MF6: Comparison of EHT and CNDO Calculations. In: Delhaes, P., Drillon, M. (eds) Organic and Inorganic Low-Dimensional Crystalline Materials. NATO ASI Series, vol 168. Springer, New York, NY. https://doi.org/10.1007/978-1-4899-2091-1_24
Download citation
DOI: https://doi.org/10.1007/978-1-4899-2091-1_24
Publisher Name: Springer, New York, NY
Print ISBN: 978-1-4899-2093-5
Online ISBN: 978-1-4899-2091-1
eBook Packages: Springer Book Archive