| Abstract
| - Structures, electron ionization and excitation energies, and electron density distribution are studied for carbazoleand fluorene derivatives substituted symmetrically by thiophene, ethylenodioxythiophene, furane, or pyrrole.The calculated properties of the molecules directly or indirectly mimic molecular parameters that are importantfor the design of processes of polymerization or for modeling the final polymer. The studies have been focusedon the variation in the properties as a function of the chemical composition of the central fragment and theexternal rings. The calculated properties of consecutive oligomers indicate their fast convergence to valuescharacterizing polymers.
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