Spectral and DFT studies of anion bound organic receptors: Time dependent studies and logic gate applications.

ABSTRACT: New colorimetric receptors R1 and R2 with varied positional substitution of a cyano and nitro signaling unit having a hydroxy functionality as the hydrogen bond donor site have been designed, synthesized and characterized by FTIR, ¹H NMR spectroscopy and mass spectrometry. The receptors R1 and R2 exhibit prominent visual response for F^- and AcO^- ions allowing the real time analysis of these ions in aqueous media. The formation of the receptor-anion complexes has been supported by UV-vis titration studies and confirmed through binding constant calculations. The anion binding process follows a first order rate equation and the calculated rate constants reveal a higher order of reactivity for AcO^- ions. The ¹H NMR titration and TDDFT studies provide full support of the binding mechanism. The Hg²⁺ and F^- ion sensing property of receptor R1 has been utilized to arrive at "AND" and "INHIBIT" molecular logic gate applications.

SUBMITTER: Pangannaya S 

PROVIDER: S-EPMC5331291 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature