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Vinod D. Gupta Abhinav B. Tathe Vikas S. Padalkar Vikas S. Patil Kiran R. Phatangare Prashant G. Umape Ponnadurai Ramasami Nagaiyan Sekar 《Journal of fluorescence》2013,23(6):1121-1138
Push-pull chromophores attached to carbazole based π-conjugating spacers bearing N-alkylamino donors, cyanovinyl and carbethoxy acceptors have been studied by the means of UV-Visible measurements. The intramolecular charge transfer (ICT) of these π-conjugated systems has also been tested by investigating the ability of the solute molecules to undergo shifts in their fluorescence emission maxima with increasing solvent polarity. Density Functional Theory [B3LYP/6-31G(d)] and Time Dependent Density Functional Theory [TD-B3LYP/6-31G(d)] computations have been used to have more understanding of the structural, molecular, electronic and photophysical parameters of push-pull dyes. The largest wavelength difference between the experimental and computed electronic absorption maxima was 45 nm. For emission, a largest difference of 61 nm was observed. The ground state and excited state dipole moments in different solvents were determined using experimental solvatochromic data and computed Onsager radii. The dipole moments of the molecules in the excited state were observed to be higher than in the ground state. 相似文献
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It is shown that the topologically irreducible representationsof a normed algebra define a certain topological radical inthe same way that the strictly irreducible representations definethe Jacobson radical and that this radical can be strictly smallerthan the Jacobson radical. An abstract theory of topologicalradicals in topological algebras is developed and usedto relate this radical to the Baer radical (prime radical).The relations with topologically transitive representationsand standard representations in the sense of Meyer are alsoexplored. 1991 Mathematics Subject Classification: 46H15, 46H25,16Nxx. 相似文献
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Novel carbazole based styryl derivatives (6a–6c) having styryl group at third position and a methoxy substitution were synthesized by condensing 4-methoxy-9-methyl-9H-carbazole-3-carbaldehyde 3 and different active methylene derivatives (5a–5c). Evaluated photophysical properties of these synthesized novel chromophores, studied the effect of solvent polarity on absorption, emission and quantum yield of these styryl derivatives. DFT and TD-DFT computations are carried out to study structural, molecular, electronic and photophysical parameters of dyes. The ratio of ground state to excited state dipole moment was calculated using Bakhshiev and Kawski-Chamma-Viallet correlations. 相似文献
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Vergés JA Guinea F Galán J van Dongen PG Chiappe G Louis E 《Physical review. B, Condensed matter》1994,49(21):15400-15403
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