https://www.selleckchem.com/pr....oducts/NVP-BHG712.ht
This theoretical work rationalizes the absorption and fluorescence emission properties of conjugated dyes composed of dimethylamino flavylium heterocycles linked by a polymethine chain, which were recently reported to act as efficient shortwave infrared emitters. Density functional theory is used to characterize the electronic structure of the low-lying excited states as a function of the polymethine chain length. Decomposition of the computed excitations in terms of diabatic states is also performed to deconvolute the excited states
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