Triazole-Linked Anthracenyl-Appended Calixarene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies
journal contributionposted on 2013-04-19, 00:00 authored by V. V. Sreenivasu Mummidivarapu, Vijaya Kumar Hinge, Khatija Tabbasum, Rajesh G. Gonnade, Chebrolu P. Rao
A new triazole-linked anthracenyl-appended calixarene-1,3-diconjugate (L) has been synthesized and characterized, and its single crystal XRD structure has been established. Binding properties of L toward different biologically relevant metal ions have been studied by fluorescence and absorption spectroscopy in ethanol. L exhibits selective recognition of Co2+ and can detect down to a concentration of 55 ppb (0.92 μM). The roles of the calixarene platform as well as the preorganized binding core in L’s selective recognition have been demonstrated by studying appropriate control molecules. The mode of binding of L with Co2+ has been modeled both by DFT and MD computational calculations. L and its Co2+ complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.