Alrasheedi Najah F H, Abdulazeez Ismail, Haladu Shamsuddeen A, Gondal Mohammed A, AlAqad Khaled M, Kamal Salwa J, Alharthi Salha N, Elsharif Asma M
Department of Chemistry, College of Science, Imam Abdulrahman Bin Faisal University, P. O. Box 1982, Dammam, 31441, Saudi Arabia.
Department of Chemistry, College of Science and Arts, Qassim University, Ar Rass, 51921, Saudi Arabia.
BMC Chem. 2024 Jul 8;18(1):128. doi: 10.1186/s13065-024-01236-w.
The inhibition effect of symmetrical Ball - type Zinc Phthalocyanine on Aluminum in 1mol/L hydrochloric acid was analyzed by electrochemical techniques. A novel ball-type zinc phthalocyanine (Zn-Pc) inhibitor has been synthesized and verified utilizing FTIR, nuclear magnetic resonance (H NMR and C NMR), MALDI-TOF MS, and absorption spectroscopy (UV-Vis). In addition, laser-induced breakdown and photoluminescence spectroscopy were employed for additional study. Weight loss technique was employed to investigate the corrosion inhibition effectiveness of the synthesized Zn-Pc on Aluminum in 1mol/L hydrochloric acid at the range of variation temperatures (293-333 K). The inhibition efficiency of Zn-Pc increased with higher concentrations of Zn-Pc and decreased as the temperature increased. Furthermore, Zn-Pc demonstrated outstanding outcomes, achieving 72.9% at a very low inhibitor concentration (0.4 mmol/L) at 298 K. The experimental data for Zn-Pc Aluminum in 1mol/L hydrochloric acid obeys the Langmuir adsorption isotherm. Moreover, the corrosion system's thermodynamic parameters and activation energy were determined. Quantum chemical calculations applying the (DFT) Density Functional Theory method was conducted and applied in this study. These calculations played a pivotal role in elucidating molecular structures and reactivity patterns. Through DFT, numerous reactivity indicators were computed, providing valuable insights into the chemical behavior of the studied compounds. These indicators, such as frontier molecular orbitals, electron density, and molecular electrostatic potential, were subsequently correlated with experimental data.
采用电化学技术分析了对称球型锌酞菁对1mol/L盐酸中铝的缓蚀作用。通过傅里叶变换红外光谱（FTIR）、核磁共振（氢核磁共振和碳核磁共振）、基质辅助激光解吸电离飞行时间质谱（MALDI-TOF MS）和吸收光谱（紫外可见光谱）合成并验证了一种新型球型锌酞菁（Zn-Pc）缓蚀剂。此外，还采用激光诱导击穿光谱和光致发光光谱进行了进一步研究。采用失重法研究了合成的Zn-Pc在1mol/L盐酸中不同温度范围（293-333K）对铝的缓蚀效果。Zn-Pc的缓蚀效率随其浓度的增加而提高，随温度的升高而降低。此外，Zn-Pc表现出优异的效果，在298K时，在极低的缓蚀剂浓度（0.4mmol/L）下，缓蚀效率达到72.9%。1mol/L盐酸中Zn-Pc对铝的实验数据符合朗缪尔吸附等温线。此外，还测定了腐蚀体系的热力学参数和活化能。本研究采用密度泛函理论（DFT）方法进行量子化学计算。这些计算在阐明分子结构和反应模式方面发挥了关键作用。通过DFT计算了许多反应性指标，为所研究化合物的化学行为提供了有价值的见解。这些指标，如前线分子轨道、电子密度和分子静电势，随后与实验数据相关联。
