Spectroscopic properties and site origin of Shpol'skii system-terrylene in n-nonane

We present low temperature absorption and fluorescence spectra of terrylene and its derivative di-tert-butylterrylene in a series of n-alkanes: n-octane. n-nonane, n-decane and n-dodecane. Terrylene in n-nonane exhibits the most red-shifted absorption spectrum with clearly distinguished contribution of four sites. Theoretical simulations by means of MM+ and INDO/S methods were carried out with the aim to establish how the guest molecules of chromophore are embedded into the host crystalline lattice of n-alkanes, special attention being paid to the n-nonane matrix. (C) 2002 Elsevier Science B.V. All rights reserved.