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Vol. 29 No. 10 (2017): Vol 29 Issue 10

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Corrosion Behaviour of Some Phenyl Thiazole by Multiple Linear Regression Technique

https://doi.org/10.14233/ajchem.2017.20791
R. Shanthi
Department of Chemistry, Madras Christian College, Tambaram, Chennai-600 045, India
R. Joel Karunakaran
Department of Chemistry, Madras Christian College, Tambaram, Chennai-600 045, India

Corresponding Author(s) : R. Shanthi

shanthi.ramani81@gmail.com

Asian Journal of Chemistry, Vol. 29 No. 10 (2017): Vol 29 Issue 10

Abstract

Density functional theory methods B3LYP/6-31G(d,p) and PBE0/6-31G(d,p) were utilized and ab inito calculations were performed in RHF/3-21G(d,p) levels on the inhibitive effect of corrosion of four phenyl thiazole compounds namely amino phenylthiazole (APT), cinnamalidine aminophenylthiazole (CAPT), 2-salicylidine aminophenylthiazole (SAPT) and 2-vanilidine-amino-4-phenylthiazole (VAPT) on mild steel surface. The order of inhibition efficiency was found to be CAPT > VAPT > SAPT > APT. Most of the quantum chemical parameters used show agreement with this trend and the experimental and the calculated inhibition efficiency showed a good correlation.

Keywords

Corrosion Multiple linear regression Phenyl thiazoles Corrosion behaviour
Shanthi, R., & Karunakaran, R. J. (2017). Corrosion Behaviour of Some Phenyl Thiazole by Multiple Linear Regression Technique. Asian Journal of Chemistry, 29(10), 2299–2304. https://doi.org/10.14233/ajchem.2017.20791
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References
  1. I. Ahamad and M.A. Quraishi, Corros. Sci., 51, 2006 (2009); https://doi.org/10.1016/j.corsci.2009.05.026.
  2. Q.B. Zhang and Y.X. Hua, Electrochim. Acta, 54, 1881 (2009); https://doi.org/10.1016/j.electacta.2008.10.025.
  3. W. Li, Q. He, C. Pei and B. Hou, Electrochim. Acta, 52, 6386 (2007); https://doi.org/10.1016/j.electacta.2007.04.077.
  4. S.S. Mahmoud and E.G.A. Malidy, Egypt. J. Chem., 39, 365 (1996).
  5. X.J. Raj and N. Rajendran, Int. J. Electrochem. Sci., 6, 348 (2011).
  6. R.M. Souto, V. Fox, M.M. Laz, M. Pérez and R.S. González, J. Electroanal. Chem., 411, 161 (1996); https://doi.org/10.1016/0022-0728(96)04566-4.
  7. G. Trabanelli, G. Brunoro, C. Monticells and M. Foganolo, Proceedings of the 9th ICMC, Toronto, Canada, June (1984).
  8. D.D.N. Singh, M.M. Singh, R.S. Chaudhary and C.V. Agarwal, J. Appl. Electrochem., 10, 587 (1980); https://doi.org/10.1007/BF00615480.
  9. F. Bentiss, M. Lebrini, H. Vezin and M. Lagrenée, Mater. Chem. Phys., 87, 18 (2004); https://doi.org/10.1016/j.matchemphys.2004.05.040.
  10. S.T. Selvi, V. Raman and N. Rajendran, J. Appl. Electrochem., 33, 1175 (2003); https://doi.org/10.1023/B:JACH.0000003852.38068.3f.
  11. M.N. Desai, M.B. Desai, C.B. Shah and S.M. Desai, Corros. Sci., 26, 827 (1986); https://doi.org/10.1016/0010-938X(86)90066-1.
  12. M.A. Quraishi, M. Wajid Khan, M. Ajmal, S. Muralidharan and S. Venkatakrishna Iyer, Anti-Corros. Methods Mater., 43, 5 (1996); https://doi.org/10.1108/eb007386.
  13. A. Alex, Granovsky, Firefly version 8.2.0, www.http://classic.chem.msu.su/gran/firefly/index.html.
  14. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis and J.A. Montgomery, J. Comput. Chem., 14, 1347 (1993); https://doi.org/10.1002/jcc.540141112.
  15. C. Lee, W. Yang and R.G. Parr, Phys. Rev. B, 37, 785 (1988); https://doi.org/10.1103/PhysRevB.37.785.
  16. A.D. Becke, J. Chem. Phys., 98, 5648 (1993); https://doi.org/10.1063/1.464913.
  17. R. Ditchfield, W.J. Hehre and J.A. Pople, J. Chem. Phys., 54, 724 (1971); https://doi.org/10.1063/1.1674902.
  18. M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees and J.A. Pople, J. Chem. Phys., 77, 3654 (1982); https://doi.org/10.1063/1.444267.
  19. W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56, 2257 (1972); https://doi.org/10.1063/1.1677527.
  20. C. Adamo and V. Barone, J. Chem. Phys., 110, 6158 (1999); https://doi.org/10.1063/1.478522.
  21. J.S. Binkley, J.A. Pople and W.J. Hehre, J. Am. Chem. Soc., 102, 939 (1980); https://doi.org/10.1021/ja00523a008.
  22. K.D. Dobbs and W.J. Hehre, J. Comput. Chem., 7, 359 (1986); https://doi.org/10.1002/jcc.540070313.
  23. K.D. Dobbs and W.J. Hehre, J. Comput. Chem., 8, 861 (1987); https://doi.org/10.1002/jcc.540080614.
  24. Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/.
  25. T. Lu and F. Chen, J. Comput. Chem., 33, 580 (2012); https://doi.org/10.1002/jcc.22885.
  26. V.S. Sastri and J.R. Perumareddi, Corrosion, 53, 617 (1997); https://doi.org/10.5006/1.3290294.
  27. J.F. Janak, Phys. Rev. B, 18, 7165 (1978); https://doi.org/10.1103/PhysRevB.18.7165.
  28. R.G. Pearson, Proc. Natl. Acad. Sci. USA, 83, 8440 (1986); https://doi.org/10.1073/pnas.83.22.8440.
  29. R.T. Sanderson, Science, 121, 207 (1955); https://doi.org/10.1126/science.121.3137.207.
  30. R.P. Iczkowski and J.L. Margrave, J. Am. Chem. Soc., 83, 3547 (1961); https://doi.org/10.1021/ja01478a001.
  31. V.S. Sastri and J.R. Perumareddi, Corrosion, 53, 617 (1997); https://doi.org/10.5006/1.3290294.
  32. D.-Q. Zhang, L.-W. Gao and G.D. Zhou, Corros. Sci., 46, 3031 (2004); https://doi.org/10.1016/j.corsci.2004.04.012.
  33. I. Lukovits, E. Kalman and F. Zucchi, Corrosion, 57, 3 (2001); https://doi.org/10.5006/1.3290328.
  34. W. Yang and R.G. Parr, Proc. Natl. Acad. Sci. USA, 82, 6723 (1985); https://doi.org/10.1073/pnas.82.20.6723.
  35. P. Geerlings, F. De Proft and W. Langenaeker, Chem. Rev., 103, 1793 (2003); https://doi.org/10.1021/cr990029p.
  36. G. Gao and C. Liang, Electrochim. Acta, 52, 4554 (2007); https://doi.org/10.1016/j.electacta.2006.12.058.
  37. G. Gece and S. Bilgic, Corros. Sci., 52, 3304 (2010); https://doi.org/10.1016/j.corsci.2010.06.005.
  38. N. Khalil, Electrochim. Acta, 48, 2635 (2003); https://doi.org/10.1016/S0013-4686(03)00307-4.
  39. L.M. Rodríguez-Valdez, A. Martínez-Villafañe and D. Glossman-Mitnik, J. Mol. Struct. THEOCHEM, 713, 65 (2005); https://doi.org/10.1016/j.theochem.2004.10.036.
  40. A. Stoyanova, G. Petkova and S.D. Peyerimhoff, Chem. Phys., 279, 1 (2002); https://doi.org/10.1016/S0301-0104(02)00408-1.
  41. T. Arslan, F. Kandemirli, E.E. Ebenso, I. Love and H. Alemu, Corros. Sci., 51, 35 (2009); https://doi.org/10.1016/j.corsci.2008.10.016.
  42. B.D. Mert, M.E. Mert, G. Kardas and B. Yazici, Corros. Sci., 53, 4265 (2011); https://doi.org/10.1016/j.corsci.2011.08.038.
  43. P. Udhayakala, T.V. Rajendiran and S. Gunasekaran, J. Adv. Sci. Res., 3, 71 (2012).
  44. K.F. Khaled, K. Babic-Samardzija and N. Hackerman, Electrochim. Acta, 50, 2515 (2005); https://doi.org/10.1016/j.electacta.2004.10.079.
  45. H. Ashassi-Sorkhabi, B. Shaabani and D. Seifzadeh, Appl. Surf. Sci., 239, 154 (2005); https://doi.org/10.1016/j.apsusc.2004.05.143.
  46. I. Lukovits, E. Kalman and G. Palinkas, Corrosion, 51, 201 (1995); https://doi.org/10.5006/1.3294362.
  47. I. Lukovits, K. Palfi, I. Bako and E. Kalman, Corrosion, 53, 915 (1997); https://doi.org/10.5006/1.3290275
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