Bioanalytical and Theoretical Studies of the Spectrophotometrically Investigated Iridium (III)-3-Hydroxy-2-(4-Methoxyphenyl)-4H-Chromen-4-one Complex

A pioneering approach for the spectrophotometric inquisition of microscale amounts of iridium (III) under aqueous conditions has been explored using a novel benzopyran derivative, 3-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one (HMPC) as a ligand, hence, employing complexation as a basis of reaction between the two. The spontaneous complexation between iridium (III) and HMPC is manifested by the expeditious formation of a pale yellow complex at pH 4.87 in which the metal-to-ligand ratio [M:L] is estimated as 1:2. The complex absorbs paramountly at 423-430 nm and is markedly stable. For ensuring the formation of a stable complex, optimal conditions have been fixed concerning the parameters regulating its formation. Accordingly, the system shows coherence to linearity between 0.0-1.7 µg/mL of iridium (III). The molar attenuation coefficient and Sandell’s sensitivity are 6.824×10^4 L/mol cm and 0.00281µg Ir (III) cm-2, respectively at 425 nm. Statistical parameters including RSD, correlation coefficient (r), and detection limit are respectively, 0.2169%, 0.9999, and 0.0123 µg/mL. As a check for flexibility and usability of the method, intervention concerning complexing agents and cations of prime analytical importance has been carried out indicating the majority of these do not induce any interference during determination. The accomplished studies serve as proof of the versatility, flexibility, and sensitivity of the method. Keeping in view the aforesaid characteristics of the complex, it was subjected to numerous biological investigations and has been satisfyingly found to possess anti-cancerous, bactericidal, and antioxidant properties thus expanding its novel utility domain in the therapeutic world. Quantum chemical parameters (DFT and MEP), based on analysis of electronic properties of the complex in its most stable least energy conformation, are used to better understand the chemistry of the produced complex.