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.

The low-temperature (20K) electronic absorption and emission spectra of terrylene (C30H16) and perylene (C20H12) isolated in Kr and Xe matrixes are presented. The spectra of both chromophores in Kr matrix reveal similar multiplet structure, and in each spectrum, six different sites were identified. In order to understand the origin of observed site—splitting, the theoretical calculations of complex system—chromophore embedded into Kr matrix—were carried out by means of MM+ method. The optimization of system structure yielded six different types (sites) of embedding chromophore molecules into Kr crystal lattice. As calculations have shown, the nearest environment of each site distinguishes by its specific density of rare gas atoms, on which basis the relationship between theoretically calculated sites and observed spectral features was established.

The low temperature (20K) electronic absorption and emission spectra of terrylene (C30H16) and perylene (C20H12) isolated in Kr matrix are presented. The spectra of both chromophores reveal similar multiplet structure, and in each spectrum, six different sites were identified. In order to understand the origin of observed site-splitting, the theoretical calculations of complex system - chromophore embedded into Kr matrix - were carried out by means of MM+ method. The optimization of system structure yielded six different types (sites) of embedding chromophore molecules into Kr crystal lattice. As calculations have shown, the nearest environment of each embedding type distinguishes by its specific density of Kr atoms packing, on which basis the relationship between theoretically calculated sites and observed spectral features was established.

We present low temperature absorption and fluorescence spectra of terrylene and its derivative di-tert-butylterrylene (DTBT) in the series of n-alkanes - from n-octane to n-dodecane. Calculations by means of MM+ and INDO/S methods were carried out with the aim to establish how the guest molecules of the chromophore are embedded into the host crystalline lattice of n-alkanes, special attention being paid to the n-nonane matrix.

Fluorescence and fluorescence excitation spectra of terrylene deposited in Ne and Ar matrixes at 7 K have been studied. The (0,0) fluorescence band of terrylene in Ne matrixes is shifted by 330 cm-1 to low energy with respect to the (0,0) fluorescence excitation band observed at 18990 cm-1. Furthermore, the vibronic structures of both spectra are different. In contrary to this observation, the fluorescence and fluorescence excitation spectra of terrylene in Ar matrixes have a common origin at 18312 cm-1 and demonstrate mirror symmetry. Semiempirical AM1 calculations combined with the analysis of the vibronic structure of the spectra suggest that terrylene molecules in the excited S1 state are subject to relaxation. This relaxation is possible in soft Ne but it is frozen in rigid Ar matrix.