P Preethi Kumari, G Anusha, Mishma J N Cheerlin, Sinha Rajeev K, Suvarna Aishwarya S, Gaonkar Santosh L
Department of Chemistry, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal, 576104, India.
Department of Physics, Women's Christian College, Nagercoil, Tamil Nadu, India.
Heliyon. 2023 Oct 17;9(10):e21014. doi: 10.1016/j.heliyon.2023.e21014. eCollection 2023 Oct.
6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole. HCl (FPBH), a substituted benzisoxazole derivative, was prepared from isonipecotic acid and characterized using various spectroscopic techniques. Using electrochemical examinations such as potentiodynamic polarisation (PDP) and electrochemical impedance spectroscopic (EIS) technique, the corrosion mitigation capabilities of this compound for mild steel (MS) in 0.5 M HCl medium were investigated. Theoretical studies were performed using quantum chemical calculations and density functional theory (DFT). PDP results exhibited the mixed-type behavior of FPBH and showed a maximum efficiency of 94.5 % at 1 × 10 M. The development of a protective adsorbed layer of FPBH decreases the corrosion current density () and corrosion rate (). The EIS technique revealed that the rise in the charge transfer resistance () values and reduction in the thickness of the double-layer capacitance () reflected the drop in corrosion rate. The adsorption of FPBH took place through physisorption by conforming Langmuir's isotherm. The DFT method was performed on the optimized structure of FPBH to get additional evidence on the action mode of FPBH with the metal surface.
6-氟-3-(4-哌啶基)-1,2-苯并异恶唑盐酸盐（FPBH），一种取代苯并异恶唑衍生物，由异哌啶酸制备而成，并采用多种光谱技术对其进行了表征。利用动电位极化（PDP）和电化学阻抗谱（EIS）技术等电化学检测方法，研究了该化合物在0.5 M盐酸介质中对低碳钢（MS）的缓蚀性能。使用量子化学计算和密度泛函理论（DFT）进行了理论研究。PDP结果显示FPBH具有混合型行为，在1×10⁻⁵ M时显示出94.5%的最大效率。FPBH形成的保护性吸附层降低了腐蚀电流密度（icorr）和腐蚀速率（CR）。EIS技术表明，电荷转移电阻（Rct）值的增加和双层电容（Cdl）厚度的减小反映了腐蚀速率的下降。FPBH的吸附通过符合朗缪尔等温线的物理吸附发生。对FPBH的优化结构进行了DFT方法研究，以获得关于FPBH与金属表面作用模式的更多证据。
