title: Triazole-linked anthracenyl-appended calix[4]arene conjugate as receptor for Co(II): synthesis, spectroscopy, microscopy, and computational studies.
abstract: A 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 Co(2+) 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 Co(2+) has been modeled both by DFT and MD computational calculations. L and its Co(2+) complex could be differentiated on the basis of the nanostructural features observed in AFM and TEM.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
authors.forename: V V Sreenivasu
authors.initials: VV
authors.lastname: Mummidivarapu
authors.forename: Vijaya Kumar
authors.initials: VK
authors.lastname: Hinge
authors.forename: Khatija
authors.initials: K
authors.lastname: Tabbasum
authors.forename: Rajesh G
authors.initials: RG
authors.lastname: Gonnade
authors.forename: Chebrolu P
authors.initials: CP
authors.lastname: Rao
mesh_terms: D000873:Anthracenes / Q000737:chemistry*; D047250:Calixarenes / Q000138:chemical synthesis* / Q000737:chemistry*; D003035:Cobalt / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005453:Fluorescence; D009682:Magnetic Resonance Spectroscopy; D008853:Microscopy; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry*; D014230:Triazoles / Q000138:chemical synthesis* / Q000737:chemistry*
chemical_list: D000873:Anthracenes; D014230:Triazoles; D047250:Calixarenes; D003035:Cobalt