Vladimír Lukes, M. Breza, D. Végh
Jul 1, 2003
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0
Influential Citations
16
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Journal
Synthetic Metals
Abstract
Abstract The syntheses, spectral measurements and the AM1 geometries of di-furan-2-yl-ethane-1,2-dione, di-thiophen-2-yl-ethane-1,2-dione, bis-[2,2′]-bithiophen-2,5-yl-ethane-1,2-dione and bis-[2,2′; 5′,2″]-terthiophen-2,5-yl-ethane-1,2-dione are presented. The electron absorption spectra for stable conformers are obtained by ZINDO/S method and they reasonably well agree with the experimental data. The increasing chain length influences the electronic polarizability and hyperpolarizabilities as demonstrated by the finite field method in AM1 approach.