فهرست نشریات علمی دسترسی آزاد ایران

This study investigates the catalytic potential of five recently synthesised symmetrical azine ligands in combination with various metal salts in situ for the synthesis of phenoxazinone synthase. UV spectrometry was used to analyse the resulting complexes, all of which exhibited remarkable efficiency in catalysing the oxidation of aminophenol to phenoxazinone under ambient conditions. In particular, the pairing of the ligand L1 and CuCl2 in a 1:1 molar ratio ([1L/1M]) showed the highest catalytic performance. These results offer promising prospects for the application of these complexes as effective catalysts in various chemical processes. Furthermore, a Density Functional Theory investigation of the chemical reactivity of these ligands was carried out to determine various widely recognised quantum chemical descriptors, including hardness, chemical potential, electrophilicity indices and molecular orbital theory analysis. The study aimed to characterise nucleophilic, electrophilic, electron accepting and electron donating compounds.