Synthesis, structural characterization, DFT computation, and anticorrosive behavior of ethylenediammonium dichloridobis(dihydrogenphosphito)cobaltate(II) on C38 steel in a 1M-HCl solution
Mohammed Zerrouk , Elhachmia Ech-chihbi , Mohammed Er-rajy , Ali Raza Ayub , Khalil Azzaoui , Rachid Sabbahi , Belkheir Hammouti , Rachid Ouarsal , Mohammed Lachkar , Brahim El Bali
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引用次数: 0
Abstract
Under normal conditions, the chemical (C2H10N2)[Co(H2PO3)2Cl2] has been synthesized using the ethylenediamine molecule as a template. Both X-ray diffraction and infrared spectroscopy were used to characterize the title compound. TGA-DTA measurements revealed the thermal stability of the studied complex up to 423 K. The optimal molecular structure and the infrared radiation intensity were determined using density functional theory (DFT/B3LYP) methods with the LanL2DZ basis set; the bands found in the experimental and calculated IR spectra corresponded to the vibrations of the ethylenediammonium cation and the phosphite anion. In addition, boundary molecular orbital (HOMO-LUMO) plots and molecular electrostatic potential (MEP) surfaces are obtained to understand better the electronic properties and reactive sites of chemical species. The calculated structural parameters are in good agreement with the experimental results. Anticorrosive behavior of (C2H10N2)[Co(H2PO3)2Cl2] on C38 steel in 1M-HCl has been studied using the weight loss method, electrochemical impedance spectroscopy (EIS) and potentiodynamic dynamic polarization techniques. As the concentration of the studied inhibitor increases, The corrosion rate decreases with increasing inhibitor concentration, enhancing inhibition efficiency. A proposed mechanism suggests that adsorption occurs via electrostatic interactions and coordination bonding, forming a protective barrier that inhibits corrosion.
期刊介绍:
Launched in January 1998, Inorganic Chemistry Communications is an international journal dedicated to the rapid publication of short communications in the major areas of inorganic, organometallic and supramolecular chemistry. Topics include synthetic and reaction chemistry, kinetics and mechanisms of reactions, bioinorganic chemistry, photochemistry and the use of metal and organometallic compounds in stoichiometric and catalytic synthesis or organic compounds.