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      https://www.ias.ac.in/article/fulltext/jcsc/130/12/0161

    • Keywords

       

      Bio-mimicking Chemistry; Cobalt(III); DFT study; Phenoxazinone synthase activity; X-ray structure.

    • Abstract

       

      In this work, we have synthesised and structurally characterized a mononuclear cobalt(III) complex,[Co(2-O-pn)2] Cl 2H2O (1), (2-O-pn = 1,3-diamino-2-propanolate). From the X-ray structure of the cobalt complex, it is revealed that Co(III) ion in 1 adopts an octahedral geometry and crystallizes in the monoclinicsystem with C2/c space group. The lattice aqua molecule in combination with chloride ion in 1 forms a waterchloride cluster, (H2O)2 ··· (Cl)2 through strong H-bonding interaction mediated via cobalt(III) complex in a unique binding motif. This cobalt(III) complex has been tested as an effective catalytic system towards the oxidative coupling of 2-aminophenol (2-AP) in the MeCN medium. In situ mass spectral analysis confirms that 2-AP forms an adduct with cobalt ion and the course of catalysis proceeds through catalyst-substrate binding followed by oxidative coupling of 2-AP with iminobenzoquinone. This cobalt(III) catalyst affords exclusively aminophenoxazinone species with a significant turnover number, kcat: 6.37×102h-1 in the MeCN medium. This cobalt(III) complex is able to screen out the growth of some bacteria and fungi species. Quantum chemicalcalculations employing density functional theory is used to model structural parameters and spectroscopic behaviour. The theoretical findings corroborate well with the experimental results.

    • Author Affiliations

       

      BISWAJIT CHOWDHURY1 BIPLAB BHOWMIK2 AMRITA SAHU3 MAYANK JOSHI4 SUVENDU PAUL5 ANGSHUMAN ROY CHOUDHURY4 BHASKAR BISWAS1

      1. Department of Chemistry, University of North Bengal, Darjeeling, West Bengal 734 013, India
      2. Department of Zoology, Panchakot Mahavidyalaya, Purulia, West Bengal 723 121, India
      3. Department of Electrical Engineering, Temple University, Philadelphia 741235, USA
      4. Department of Chemical Sciences, Indian Institute of Science Education and Research Mohali, Mohali, Punjab 140 306, India
      5. Department of Chemistry, University of Kalyani, Kalyani, West Bengal 741 235, India
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