Synthesis and spectral properties of novel series of fluorene-based azo dyes containing thiazole scaffold: Studying of the solvent and substituent effect on absorption spectra

Comparative study of the self-assembly behaviour of 3-chloro-4-hydroxy-phenylazo dyes

“…The replacement of natural dyes by synthetic dyes permitted the fine-tuning of dye properties by variation of chemical functionalities. [1][2][3] Apart from traditional dye research, the use of dyes as functional materials, e.g. in dyesensitized solar cells or organic light-emitting diodes (OLEDs), has received increasing attention over the past 20 years.…”

Theoretical Study on Spectrum and Luminescence Mechanism of Indocyanine Green Dye Based on Density Functional Theory (DFT)

“…It should be noted that B3LYP is widely used in the structural optimization of small molecules [13,15,16,[31][32][33], and for the basis set, we chose 6-311G (d, p), which is higher than the common standard. CAM-B3LYP is widely used to study the excited state of small organic molecules [34][35][36][37][38][39], based on the structure optimization base set, we add the dispersion function to ensure more accurate excited state information. Te solvent efect is represented by the implicit solvent model using the SMD-H 2 O model (developed by Truhlar's group) [40].…”