Photophysical, Antioxidant, Antibacterial and NBO, LOL, ELF Analysis of Alkyl Groups Substituted Calix[4]resorcinarenes.

Abstract

In our work to investigate the photophysical, antioxidant, antibacterial, DFT and topological analysis of four C-alkyl calix[4]resorcinarenes (3a-3d - C4RAs). The photophysical properties of C4RAs in selected solvents were recorded using both UV-Visible and fluorescence spectral studies. The absorption and emission maximum of four C4RAs were observed around 280 nm and 318 nm in selected solvents. The solvatochromism with selected solvents were analysed from the plot between Stoke's shift and ETN. The antioxidant activity and antibacterial activity of four C4RAs were evaluated by phosphomolybdate assay and Kirby-Bauer method. The structure of four C4RAs was optimized using DFT B3LYP 6-311G method to calculating the various theoretical parameters in the gas phase. The stability, reactivity, formation of hydrogen bond, donor-acceptor interactions were reported from the interpretation of theoretical values. The non-covalent interactions of four C4RAs were characterized by LOL and ELF topological analysis.