The geometry and absorption of diketo-pyrrolo-pyrroles substituted with various aryls

…, P Horáková, J Kučerík, M Weiter, R Hrdina

Index: Lunak Jr., Stanislav; Havel, Lukas; Vynuchal, Jan; Horakova, Petra; Kucerik, Jiri; Weiter, Martin; Hrdina, Radim Dyes and Pigments, 2010 , vol. 85, # 1-2 p. 27 - 36

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Citation Number: 22

Abstract

A series of five symmetrical and four unsymmetrical diaryl substituted diketo-pyrrolo-pyrroles was synthesized; two unsymmetrical derivatives are reported for the first time. The relationship between the theoretical excitation energies of the S0→ S1 transition, computed by time dependent density functional theory and the experimental positions of 0–0 vibronic bands in the visible absorption (or fluorescence excitation) spectra was studied. ...

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