Abstract

An inclusion complex of 2,4-dinitrophenyl hydrazine (DNPH) with β-cyclodextrin (β-CD) was prepared and investigated using UV–visible and fluorescence spectral techniques in liquid states, FTIR and NMR techniques in solid state, and molecular docking techniques in virtual states. The binding constants for the formation of 1:1 DNPH: β-CD inclusion complex are estimated by UV–visible and fluorescence spectral techniques. To study the preferred orientation of guest molecules into the host, molecular simulation studies are used. Results of computational studies, semi-empirical analysis and experimental investigations correlate well with each other. The chemosensory power of DNPH: β-CD complex was investigated thoroughly for various metal cations and we found the emission of a complex showed a drastic increase in the intensity for Ce4+. Competition experiments of DNPH: β-CD complex with Ce4+ in the presence of other metal ions showed that no significant variation was found in the fluorescence intensity of DNPH:-CD complex upon adding all other cations. The linearity range, LOD and LOQ are determined from the selectivity and sensitivity studies for Ce4+. Our result suggests that the DNPH: β-CD inclusion complex would be promising material for developing a solid state sensory device for sensing Ce4+.

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