Barman, Souvik (2026) Metal ion (NiII vs ZnII)-mediated Csingle bondH bond activation assisted direct capture of oxygen from air in complex molecules: Synthesis, structure, characterization, mechanistic investigation and kinetic studies. Journal of Molecular Structure, 1366.

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Abstract

Novel monomeric Ni and Zn complexes supported by a known heteroscorpionate ligand have been developed and used for the selective activation of molecular oxygen (O₂) from air under ambient conditions. The heteroscorpionate ligand, 2-((E)-2-hydroxybenzylideneamino)-3-(pyridin-2-ylmethylamino)maleonitrile (1H), reacts with one equivalent of nickel chloride (NiCl₂·6H₂O) and zinc acetate (Zn(OAc)₂·2H₂O) to afford the corresponding mononuclear oxygen-activated Ni complex [Ni(LH)] (1Ni) and Zn complex [Zn(LH)(H₂O)] (1Zn) in excellent yields. The molecular structures of these compounds were investigated spectroscopically and further confirmed by single-crystal X-ray diffraction analysis. The direct oxygenation of C–H bonds via single oxygen-atom insertion, such as in the Baeyer-Villiger reaction, is particularly significant, as oxygen atoms are present in many physiologically important compounds. In this regard, this research focuses on C–H activation under ambient conditions to promote carbonyl bond formation through a proton-transfer process. The selective activation of C–H bonds is highlighted in this study. To the best of our knowledge, this is the first report of a maleonitrile-tethered Ni and Zn complex exhibiting high activity and producing a highly selective oxygen-activated product. We have also elucidated the C–H activation properties using a variety of spectroscopic and electrochemical techniques.

Item Type:	Article
Subjects:	Coal Preparation
Divisions:	UNSPECIFIED
Depositing User:	Mr. B. R. Panduranga
Date Deposited:	16 Oct 2026 07:01
Last Modified:	16 Oct 2026 07:01
URI:	https://cimfr.csircentral.net/id/eprint/3065

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