Optical absorption spectra of aromatic isothianaphthene oligomers: Theory and experiment

…, R Kiebooms, D Vanderzande, J Gelan…

Index: Quattrocchi; Lazzaroni; Bredas; Kiebooms; Vanderzande; Gelan; Meervelt Journal of physical chemistry, 1995 , vol. 99, # 12 p. 3932 - 3938

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Citation Number: 19

Abstract

We investigate the optical absorption spectra of aromatic isothianaphthene oligomers, from the monomer up to the tetramer, with a combined theoretical and experimental approach. Geometry optimizations are performed with the semiempirical Austin Model 1 method on disilylated isothianaphthene oligomers of increasing chain length. The calculated geometric parameters are compared to those obtianed from the single-crystal structure of the 3, 3'-bis ...