A comprehensive study of ondansetron hydrochloride drug as a green corrosion inhibitor for mild steel in 1M HCl medium

AbstractThe inhibiting action against the corrosion of mild steel by ondansetron hydrochloride (ODSH) drug was studied, using various studies such as weight loss, electrochemical impedance spectroscopy, potentiodynamic polarization measurement, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM), FT-IR spectroscopy and reactivity of molecule is studied using quantum chemical calculation. The result shows that ondansetron hydrochloride (ODSH) gives better inhibition on mild steel. The value of activation energy (Ea) and various thermodynamic parameters such as adsorption equilibrium constant (Kads), free energy of adsorption (ΔG0ads), adsorption enthalpy (ΔHads) and adsorption entropy (ΔSads) was calculated and discussed. The adsorption of ODSH on mild steel surface obeys the Langmuir adsorption isotherm. Potentiodynamic polarization measurement reveals that ODSH acts as a mixed-type inhibitor. Electrochemical impedance spectroscopy (EIS) spectra exhibit one capacitive loop indicating that, the corrosion reaction is controlled by charge transfer process. SEM, EDX, AFM, FT-IR conforms to the protective film formation. Quantum chemical calculation was calculated and discussed, and it supports the results

Crystal structure and Hirshfeld surface analysis of 2,4,6,11-tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.03.8]undecane

The title compound, C32H26F4N2O, crystallizes in the monoclinic space group P21/n with four molecules in the unit cell. The compound was prepared by the NaBH4 reduction of 4,8,9,10-tetrakis(4-fluorophenyl)-1,3-diazaadamantan-6-one in chloroform and ethanol as solvent. The piperidine rings exhibit chair and boat conformations, and all four fluorophenyl groups are oriented in the equatorial direction. The crystal structure features C—H...F hydrogen bonds, C—H...π, N—H...π and π–π interactions. Hirshfeld surface and two-dimensional fingerprint analysis show that van der Waals interactions constitute a major contribution to the intermolecular interactions, with H...H contacts accounting for 37.9% of the surface