jo400038x_si_001.pdf (1.26 MB)
Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies
journal contribution
posted on 2013-04-19, 00:00 authored by V. V.
Sreenivasu Mummidivarapu, Vijaya Kumar Hinge, Khatija Tabbasum, Rajesh
G. Gonnade, Chebrolu P. RaoA new
triazole-linked anthracenyl-appended calix[4]arene-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 calix[4]arene 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.