Synthesis and characterization of a new 4-styrylpyridine based square planar copper(II) complex: exploration of phenoxazinone synthase-mimicking activity and DFT study. Issue 14 (18th July 2019)

• Record Type: Journal Article
• Authors: Zaman, Akhtaruz; Khan, Samim; Dutta, Basudeb; Yakout, Sobhy M.; Ibrahim, Shebl S.; Mir, Mohammad Hedayetullah
• Is Part Of: Journal of coordination chemistry. Volume 72:Issue 14(2019)
• Page Start: 2362
• Page End: 2375
• Publication Date: 2019-07-18
• Subjects: Copper(II) -- crystal structure -- bio-mimicking study -- phenoxazinone synthase -- DFT study; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2019.1651297
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: A new 4-styrylpyridine (4-spy)-based square planar copper(II) complex, [Cu(4-spy)2 (NCS)2 ] {4-spy = 4-styrylpyridine} (1 ), has been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction study. The complex crystallizes in triclinic space group P ī and forms square planar geometry. Complex1 is self-assembled to construct 3D supramolecular architecture via π–π interactions. Complex1 exhibits strong biomimetic phenoxazinone synthase-like activity under mild conditions for the aerial oxidation of o -aminophenol to amino phenoxazinone, i.e. modeling the catalytic function of the copper-containing enzyme phenoxazinone synthase. The turnover number ( k cat ) for the process in methanol is 50.13 × 10 −2 s −1 . The mechanism of phenoxazinone synthase-like activity has been proposed for the Cu(II) catalyst with the help of mass spectral analysis. Density functional theory study has also been explored to corroborate the experimental findings. Abstract :