RSC Advances p. 25473 - 25479 (2016)
Update date:2022-08-16
Topics:
Jayasudha, Palanisamy
Manivannan, Ramalingam
Elango, Kuppanagounder P.
A diquinone-imidazole ensemble (R) is rationally designed, synthesized and employed as a selective and sensitive colorimetric sensor for cyanide ions in DMSO:H2O (1:4 v/v). 1H NMR titration indicates that the mechanism of sensing involves the formation of a H-bond between CN- and imidazole N-H. As rationalized, the R-CN- complex exhibited intense NIR-absorption (913 nm; logε 4.3) with a 428 nm red-shift from the absorbance maximum of free R. DFT calculations indicate that the R-CN- complex is perfectly planar with a HOMO-LUMO energy gap of 0.9826 eV which is optimal for NIR-absorption.
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