Abstract

Investigation on a catechol-thiosemicarbazone based tridentate NOS chelator and its octahedral pincer complexes with trivalent aluminum, chromium, iron and gallium is presented. The metal-ligands’ coordination amalgamation in all these complexes resulted in two planar pincer type arrangements with meridional configuration, where each ligand maintains a perpendicular profile retaining its linearity. The bonding, electronic properties and geometries of the ligand and complexes are described. Quantum mechanical studies at DFT level were carried out to explore the structure, reactivity and spectroscopic properties of the compounds. The fluorescence behaviour of the chelator (cattsc) was explored in the presence of a wide range of biorelevant metal ions, which shows a prominent alteration in the emission spectrum in the presence of zinc ion only by registering a significant ten-fold enhancement. • Preparation and characterization of a pincer ligand and its chelates are described. • The structures, bonding, electronic, and spectral properties are established by DFT. • The trivalent iron, aluminium, chromium and gallium form octahedral complexes. • The ligand shows high sensing ability for zinc ion among several bio-metal ions.

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