نتایج جستجو برای: solvatochromic parameters

تعداد نتایج: 578974  

Journal: :Molecular Simulation 2021

A combined molecular dynamics (MD) simulation and density functional theory (DFT) calculations were used to investigate the effect of acetonitrile (ACN) solution on absorption charge transfer in a D205 indoline dye at interface TiO2 nanoparticle. DFT carried out estimate equilibrium geometry small Ti30O62H4-anatase nanoparticle derive interaction parameters for bidentate binding TiO2. series co...

In the present study, five naphthalene-based azo dyes were obtained using classical azo coupling reactions. The structure of the dyes was characterized and confirmed by the UV-vis, FT-IR, 1H NMR and 13C NMR analyses. The solvatochromic behavior of the dyes was studied in a set of 10 solvents with different polarity and considerable results were obtained. The dyes were applied as disperse dyes t...

Journal: :Acta Crystallographica Section A Foundations and Advances 2017

Journal: :Bulletin of the Chemical Society of Japan 1991

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