This study describes the synthesis, photophysical characterization, and TD-DFT calculation of a series benzothiazole-based styryl fluorophores (F1-F5) harboring D-π-A structure. The compounds were obtained through simple efficient synthetic route using low-cost starting materials. investigation analysis their properties enable assessment effect four substituted benzothiazole moieties (A) two ty...

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 this study, we present a series of solvatochromic phenylbenzothiadiazoles that display dual emission from the locally excited (LE) and intramolecular charge transfer (ICT) states. The donor-acceptor derivatives are highly sensitive to polarity changes, which can be monitored by differences in efficiency, spectroscopic shifts variations LE/ICT ratio. One compounds series, containing thiomethy...

Inspired by naturally occurring molecules containing atropisomeric N+-C axes, we have developed a novel synthetic approach to generate library of axially chiral N-aryl quinolinium salts. Enantiopurities up 93 % ee were obtained via four-step route from commercially available precursors. Axial stereochemistry was controlled through an enantioselective ring-closing Buchwald–Hartwig coupling react...

In this study, four arylazobenzylidene dyes (a-d) were synthesized with excellent yields in two steps using Knoevenagel condensation and azo-coupling reactions. Absorption spectra of these dyes with different substituents were investigated in organic solvents as a function of solvent polarity. The spectral features of synthesized arylazobenzylidene dyes were described according to azo-hydrazone...

A citrate stabilised silver nanoparticle (Ci-AgNP) based solvatochromic sensor, which functions as a highly selective and sensitive colorimetric probe for 1,4-dioxane in aqueous media is reported. The surfaces of the AgNPs generate reactive oxygen species, which promote the degradation of 1,4-dioxane assembled in the vicinity of the nanoparticle surfaces through charge transfer interactions. Du...

Gold nanorods (GNRs) were encapsulated and dispersed into organic solvents by tetrabenzylthiol resorcinarene (TBTR) and by a poly(dithiocarbamate) derived from tetra- N-methyl(aminomethyl)resorcinarene (TMAR-DTC), formed by the in situ condensation of TMAR with carbon disulfide. The latter proved to be highly effective at enabling the redispersion of GNRs in various organic solvents. GNRs encap...

Fluorescent betaines: 2-(N-pyridinio)(1a–c) , 2-(3-methyl-N-imidazolio)(2) and 2-(4-dimethylamino-N-pyridinio)-pyrimidin-4-olate (3) were synthesized from uracils. The compounds were subjected to absorption, steady-state and time-dependent emission studies. Substituent and solvent effects on the location of the absorption and fluorescence bands were investigated. The excited state dipole moment...