title: Role of the conformational changes brought in the arms of the 1,3-di-capped conjugate of calix[4]arene (L) in turning on the fluorescence of L by Hg2+.
abstract: A new 1,3-di-capped calix[4]arene conjugate of salicylidene (L) has been synthesized, characterized and the structure has been established by single crystal XRD. L shows selectivity towards Hg(2+) in ethanol by turn-on fluorescence among the biologically important metal ions studied. The species of recognition has been modeled by DFT computational calculations to result in conformational changes in the arms that support the turn-on fluorescence behaviour.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
authors.forename: Anilkumar
authors.initials: A
authors.lastname: Bandela
authors.forename: Jugun Prakash
authors.initials: JP
authors.lastname: Chinta
authors.forename: Chebrolu P
authors.initials: CP
authors.lastname: Rao
mesh_terms: D047250:Calixarenes / Q000737:chemistry*; D004784:Environmental Monitoring / Q000379:methods; D004785:Environmental Pollutants / Q000032:analysis* / Q000737:chemistry; D005453:Fluorescence; D009682:Magnetic Resonance Spectroscopy; D008628:Mercury / Q000032:analysis* / Q000737:chemistry; D008968:Molecular Conformation; D010636:Phenols / Q000737:chemistry*; D012545:Schiff Bases / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared; D014961:X-Ray Diffraction
chemical_list: D004785:Environmental Pollutants; D010636:Phenols; D012545:Schiff Bases; C121325:calix(4)arene; D047250:Calixarenes; D008628:Mercury