Abstract:A theoretical study and design of novel sensitizers based on D-A-π-A concept is fulfilled. The study shows a key role of central A-block for wavelength in UV-Vis spectra. Chalcogen of higher period as well as additional nitrogen in central A-block provide a noticeable red shift. The maximum wavelengths are observed for aliphatic/alicyclic D-blocks. The maximum oscillator strengths are observed for the planar D-block and increase along with its charge. Structure-spectral property relationships of sensitizers ar… Show more
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