Mononuclear nonheme copper(II) compounds, [Cu(BQEN)(CH3CN)]2+ 1 and [Cu(BQPN)(CH3CN)]2+ 2 (BQEN = N,N’-dimethyl-N,N’-di(quinolin-8-yl)ethaneane-1,2-diamine; BQPN = N,N’-dimethyl-N,N’-di(quinolin-8-yl)propane-1,2-diamine) are synthesised and characterized by elemental analysis, ESI-MS, EPR and single crystal X-ray diffratrometry. Compound 1 crystalises in Pī space group while 2 crystallises in P21/n. Compounds 1 and 2 exhibit distorted square pyramidal geometry which deviate interestingly by 4.8 and 48.0 % from a regular square pyramidal structure in 1 and 2 respectively. This is attributed to the marginal increase in the carbon chain backbone of ligand in 2. Compounds 1 and 2 have been used in aerial oxidation of 2-aminophenol (H2AP) to 2-amino-phenoxazine-3-one (APX) which revealed phenoxazinone synthase activity. The DFT steric maps were utilized to understand the catalytic activity of 1 (%Vbur, 71.3 %) and 2 (%Vbur, 75.6 %). The current results clearly demonstrate an interesting structure-function relationship based on the effect of ligand backbone on the geometry.

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