Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl)oxazolo[5,4-f][1,10]phenanthroline on mild steel

Research on Chemical Intermediates - Tập 39 Số 5 - Trang 1927-1948 - 2013
I.B. Obot1, N.O. Obi-Egbedi2, Eno E. Ebenso3, Ayo Samuel Afolabi4, Emeka E. Oguzie5
1University of Uyo
2Department of Chemistry, University of Ibadan, Ibadan, Nigeria
3Department of Chemistry, School of Mathematical and Physical Sciences, North West University, Mmabatho, South Africa
4Department of Civil and Chemical Engineering, University of South Africa, Johannesburg, South Africa
5Electrochemistry and Material Science Research Laboratory, Department of Chemistry, Federal University of Technology, Owerri, Nigeria

Tóm tắt

Từ khóa


Tài liệu tham khảo

J. Liu, W. Yu, J. Zhang, S. Hu, L. You, G. Qjao, Appl. Surf. Sci. 256, 4729 (2010)

I.M. Rodriguez-Valdez, A. Martinez-Villfane, D. Mitnik, J. Mol. Struct. Theochem 713, 65 (2005)

M.A. Amin, K.F. Khaled, Q. Mohsen, H.A. Arida, Corros. Sci. 52, 1684 (2010)

M.M. Solomon, S.A. Umoren, I.I. Udousoro, A.P. Udoh, Corros. Sci. 52, 1317 (2010)

S.E. Nataraja, T.V. Venkatesha, K. Manjunatha, B. Poojary, M.K. Pavithra, H.C. Tandon, Corros. Sci. 53, 2651 (2011)

X. Li, S. Deng, H. Fu, T. Li, Electrochim. Acta 54, 4089 (2009)

E. Machnikova, K.H. Whitemire, N. Hackerman, Electrochim. Acta 53, 6024 (2008)

F. Bentiss, M. Lagrenee, J. Mater. Environ. Sci. 2(1), 13 (2011)

A. Kokalj, Electrochim. Acta 56, 745 (2010)

S. Ghareba, S. Omanovic, Corros. Sci. 52, 2104 (2010)

A.K. Singh, M.A. Quraishi, Corros. Sci. 52, 1373 (2010)

W. Yang, R.G. Parr, Proc. Natl. Acad. Sci. USA 82, 6723 (1985)

D. Li, S. Zhang, H. Bian, Int. J. Quant. Chem. 110, 1772 (2010)

N.O. Eddy, B.I. Ita, Int. J. Quant. Chem. 111, 3456 (2011)

I.B. Obot, N.O. Obi-Egbedi, Corros. Sci. 52, 923 (2010)

I.B. Obot, N.O. Obi-Egbedi, Mater. Chem. Phys. 122, 325 (2010)

I.B. Obot, N.O. Obi-Egbedi, Corros. Sci. 52, 282 (2010)

I.B. Obot, N.O. Obi-Egbedi, Corros. Sci. 52, 198 (2010)

I.B. Obot, N.O. Obi-Egbedi, Colloids Surf. A. Physicochem. Asp. 330, 207 (2008)

I.B. Obot, N.O. Obi-Egbedi, Curr. Appl. Phys. 11, 382 (2011)

I.B. Obot, N.O. Obi-Egbedi, S.A. Umoren, Corros. Sci. 51, 1868 (2009)

I.B. Obot, N.O. Obi-Egbedi, A.O. Eseola, Ind. Eng. Chem. Res. 50, 2098 (2011)

N.O. Obi-Egbedi, I.B. Obot, Corros. Sci. 53, 282 (2011)

I.B. Obot, N.O. Obi-Egbedi, Corros. Sci. 52, 657 (2010)

N.O. Obi-Egbedi, I.B. Obot, M.I. El-Khaiary, S.A. Umoren, E.E. Ebenso, Int. J. Electrochem. Sci. 6, 5649 (2011)

K.F. Khaled, Electrochim. Acta 53, 3484 (2008)

D. Fischer, A. Curioni, W. Andreoni, Langmuir 19, 3567 (2003)

K.F. Khaled, Electrochim. Acta 54, 4345 (2009)

S. Xia, M. Qiu, L. Yu, F. Liu, H. Zhao, Corros. Sci. 50, 2021 (2008)

L. Tang, L. Yao, C. Kong, W. Yang, Y. Chen, Corros. Sci. 53, 2046 (2011)

S. Roy, K.D. Hagen, P.U. Maheswari, M. Lutz, A.L. Spek, J. Reedijk, G.P. Van-Wezel, ChemMedChem 3, 1427 (2008)

T. Cardinaels, J. Ramaekers, P. Nockemann, K. Driesen, K. Van Hecke, L. Van Meervelt, S. Lei, S. De Feyter, D. Guillon, B. Donnio, K. Binnemans, Chem. Mater. 20, 1278 (2008)

Z. Zu, H. Liu, S. Xiao, M. Yang, X. Bu, J. Inorg. Biochem. 90, 79 (2002)

G.N. Mu, X.M. Li, F. Li, Mater. Chem. Phys. 86, 59 (2004)

X.M. Li, L.B. Tang, L. Li, G.N. Mu, G.H. Liu, Corros. Sci. 48, 308 (2006)

G. Bereket, C. Ogretir, C. Ozsahin, J. Mol. Struct. (Theochem) 663, 39 (2003)

Eseola AO Photoluminescent and catalytic properties of azole-substituted pyridine and phenol ligands and their NiII and ZnII complexes. PhD thesis. University of Ibadan, Ibadan, p. 222 (2010)

I.B. Obot, N.O. Obi-Egbedi, S.A. Umoren, E.E. Ebenso, Chem. Eng. Commun. 198, 711 (2011)

Spartan,06 Wavefunction, Inc. Irvine, CA: Y. Shao, L.F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S.T. Brown, A.T.B. Gilbert, L.V. Slipehenko, S.V. Levehenko, D.P. O’Neill, R.A. DiStasio Jr., R.C. Lochan, T.Wang, G.J.O. Beran, N.A. Besley, J.M. Herbert, C.Y. Lin, T. Van Voorhis, S.H. Chien, A. Sodt, R.P. Steele, V.A. Rassolov, P.E. Maslen, P.P. Korambath, R.D. Adamson, B. Austin, J. Baker, E.F.C. Byrd, H. Dachsel, R.J. Doerksen, A. Dreuw, B.D. Dunietz, A.D. Dutoi, T.R. Furlani, S.R. Gwaltney, A. Heyden, S. Hirata, C.P. Hsu, G. Kedziora, R.Z. Khalliulin, P.Klunzinger, A.M. Lee, M.S. Lee, W.Z. Liang, I.Lotan, N. Nair, B.Peters, E.I. Proynov, P.A. Pieniazek, Y.M. Rhee, J. Ritchie, E. Rosta, C.D. Sherrill, A.C. Simmonett, J.E. Subotnik, H.L. Woodcock III, W.Zhang, A.T. Bell, A.K. Chakraborty, D.M. Chipman, F.J. Keil, A. Warshel, W.J. Hehre, H.F. Schaefer, J. Kong, A.I. krylov, P.M.W. Gill and M. Head-Gordon. Phys. Chem. Chem. Phys. 8, 3172 (2006)

R.G. Parr, R.A. Donnelly, M. Levy, W.E. Palke, J. Chem. Phys. 68, 3801 (1978)

R.G. Parr, R.G. Pearson, J. Am. Chem. Soc. 105, 7512 (1983)

R.G. Pearson, Inorg. Chem. 27, 734 (1988)

T.A. Koopmans, Physica 1, 104 (1933)

W. Yang, W.J. Mortier, J. Am. Chem. Soc. 108, 5708 (1986)

K.F. Khaled, M.A. Amin, Corros. Sci. 51, 2098 (2009)

G. Bereket, C. Ogretir, A. Yurt, J. Mol. Struct. (Theochem) 571, 13 (2001)

M.M. El-Naggar, Corros. Sci. 49, 2226 (2007)

S.A. Umoren, E.E. Ebenso, Mater. Chem. Phys. 106, 387 (2007)

A.Y. El-Etre, Corros. Sci. 45, 2485 (2003)

M. Lebrini, F. Bentiss, H. Vezin, M. Lagrenee, Corros. Sci. 48, 1291 (2006)

S.S. Abd El Rehim, S.M. Sayyah, M.M. El-Deed, S.M. Kamal, R.E. Azooz, Mater. Chem. Phys. 123, 20 (2010)

I. Ahamad, R. Prasad, M.A. Quraishi, Mater. Chem. Phys. 124, 1155 (2010)

T. Szauer, A. Brand, Electrochim. Acta 26, 1219 (1981)

L.M. Vracar, D.M. Drazic, Corros. Sci. 44, 1669 (2002)

A.Y. Musa, A.H. Kadhum, A.B. Mohamad, M.F. Takriff, E.P. Chee, Curr. Appl. Phys. 12, 325 (2012)

S.A. Umoren, I.B. Obot, I.O. Igwe, Open Corros. J. 2, 1 (2009)

L.D. Landau, E.M. Lifshitz, Statistical Physics (Pergamon, Oxford, 1980), p. 107

H.L. Wang, H.B. Fan, J.S. Zheng, Mater. Chem. Phys. 77, 655 (2002)

S.A. Umoren, I.B. Obot, Surf. Rev. Lett. 15(3), 277 (2008)

S.A. Umoren, I.B. Obot, E.E. Ebenso, P.C. Okafor, O. Ogbobe, E.E. Oguzie, Anti-Corros. Methods Mater. 53(5), 277 (2006)

S. John, B. Joseph, K.V. Balakrishnan, K.K. Aravindakshan, A. Joseph, Mater. Chem. Phys. 123, 218 (2010)

H. Ju, Y. Li, Corros. Sci. 49, 4185 (2007)

N. Khalil, Electrochim. Acta 48, 2635 (2003)

N.O. Obi-Egbedi, I.B. Obot, M.I. El-Khaiary, J. Mol. Struct. 1002, 86 (2011)

G. Gece, Corros. Sci. 50, 2981 (2008)

A. Dwivedi, N. Misra, Der Pharma Chem. 2(2), 58 (2010)

H. Wang, X. Wang, H. Wang, L. Wang, A. Liu, J. Mol. Model. 13, 147 (2007)

W. Chen, H.Q. Luo, N.B. Li, Corros. Sci. 53, 3356 (2011)

W. Li, Q. He, C. Pei, B. Hou, Electrochim. Acta 52, 6386 (2007)

I. Lukovits, E. Lalman, F. Zucchi, Corrosion 57, 3 (2001)

L. Feng, H. Yang, F. Wang, Electrochim. Acta (2011). doi: 10.1016/j.electacta.2011.09.063

H. Ashassi-Sorkhabi, B. Shaabani, D. Seifzadeh, Electrochim. Acta 50, 3446 (2005)

D.J. Lavrich, S.M. Wetterer, G. Scoles, J. Phys. Chem. B 102, 3456 (1998)

M.K. Awad, M.R. Mustafa, M.M. Abo-Elnga, J. Mol. Struct. (Theochem) 959, 66 (2010)

J. Fu, S. Li, L. Cao, Y. Wang, L. Yan, L. Lu, J. Mater. Sci. 45, 979 (2010)