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Geometry molecular optimization and quantum chemical simulations of absorption spectra for newly synthesized poly-N-vinylcarbazole derivatives were performed using a semi-empirical approach. The studied polymers were modified by changing the positions of the carbazole group with respect to the polymer backbone. The absorption spectra were calculated for different numbers of PNVK monomers. A sufficient...
Absorption spectra in the new synthesized poly-N-vinylcarbazole (PNVK) materials are investigated both theoretically as well as experimentally. The investigated materials were modified by substitution of the backside groups by electron acceptors Cl, Br, I and by donor methoxy in the position 3,6 of the carbazole. At the same time, a shift of the carbazole group with respect to the polymer backbone...
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