Synthesis, X-ray, 1H-NMR and DFT analysis of the phthalimide–hydrazone probes as selective anion sensor. Issue 6 (3rd June 2017)

• Record Type: Journal Article
• Authors: Sahoo, Priya Ranjan; Prakash, Kunal; Mishra, Pragati; Agarwal, Palak; Gupta, Nikita; Kumar, Satish
• Is Part Of: Supramolecular chemistry. Volume 29:Issue 6(2017)
• Page Start: 417
• Page End: 429
• Publication Date: 2017-06-03
• Subjects: Phthalimide probe -- hydrazone -- cyanide ion -- colorimetric detection -- DFT; Macromolecules -- Periodicals; Supramolecular chemistry -- Periodicals; 547.005
• DOI: 10.1080/10610278.2016.1264074
• Languages: English
• ISSNs: 1061-0278

Abstract

Abstract: Two simple phthalimide–hydrazone probes with nitro groups were synthesised and characterised by NMR, FT-IR, HR-MS and single crystal X-ray crystallography. The synthesised receptors were evaluated for application in anion sensing. The receptors displayed strong, sensitive and selective colouration in the presence of cyanide ions by forming a stable complex with cyanide ion. The use of variable nitro groups helped in the elucidation of the mechanism of the complex formation. The 1 H NMR spectroscopy was used to support the mechanism of the complex formation. DFT methods were used to understand the stability of the complex with respect to the reactant. The absorbance data were also compared with the TD-DFT calculated excitation parameters. The experimental results were found to correlate well with the theoretical data. Abstract :