Document Type: Original Research Article

Authors

1 Department of Chemistry, Federal University Otuoke, Bayelsa, Nigeria

2 Department of Chemistry, Osun state University, Oshogbo, Nigeria

3 Department of Chemistry, University of Ibadan, Ibadan, Nigeria

Abstract

In this work, the potential of corrosion inhibition of four chloroquine derivatives; N4-(7-Chloroquinolin-8-ol-4-yl)-N1,N1-diethylpentane-1,4 diamine (M2), N4-(7-Chloroquinolin-8-amino-4-yl)-N1,N1-diethylpentane-1,4 diamine (M3) and N4-(5-bromo-7-Chloroquinolin-8-amino-4-yl)-N1,N1-diethylpentane-1,4-diamine (M4) were investigated. Their chemical descriptors which include molecular volume, softness, chemical hardness, electronegativity, fraction (ΔN) and electrophilicity index (ω) dipole moments, surface of the molecule, and electronic parameters which include the EHOMO (the highest occupied molecular orbital of energy); ELUMO (lowest unoccupied molecular orbitals of energy) and energy gap (ELUMO-EHOMO) were calculated using the DFT/B3LYP/6-311 G approach. The results revealed an established correlation between the electronic structures and the quantum parameters of the studied molecules together with their inhibition efficiency toward corrosion process. Also chloroquine derivatives with –NH3 substituent: M3 and M4 were predicted to have enhanced inhibition efficiency.

Graphical Abstract

Keywords

[1] M.V.  Fiori-Bimbi, P.E. Alvarez, H. Vaca, C.A. Gervasi, Corr. Sci., 2015, 92, 192199.

[2] B.E.A. Rani, J.B.B. Bai, Int. J. Corros., 2012, 2012, 380217.

[3] A.A. Al-Amiery, F.A. Binti Kassim, A.A.H. Kadhum, A.B. Mohamad, Sci. Rep., 2016, 6, 19890.

[4] A.S. Fouda, A.A. Nazeer, M. Ibrahim, M. Fakih. J. Korean Chem. Soc., 2013,57, 272278.

[5] V.G. Vasudha, K.S. Priya, Chem. Sci. Rev. Lett., 2014, 2, 435443.

[6] A.S. Fouda, M.A. Ismail, A.S. Abousalem, G.Y. Elewady, RSC Adv., 2017, 7, 46414 46430.

[7] A. peter, I.B. Obot, S.K. Sharma, Int. J. Indust. Chem., 2015, 6, 153164.

[8] M. Chigondo, F. chigondo, J. Chem., 2016, 2016, 6208937.

[9] E.E. Ebenso, D.A. Isabirye, N.O. Eddy, Int. J. Mol. Sci., 2010, 11, 24732498.

[10] S. Marzorati, L. Verotta, S.P. Trasatti, Molecules, 2019, 24, 48.

[11] Z.Z. Tasić, M.B. Petrović Mihajlović, A.T. Simonović, M.B. Radovanović, M.M. Antonijević, Sci. Rep., 2019, 9, 14710.

[12] M.A. Quraishi, A. Singh, V.K. Singh, D.K. Yadav, A.K. Singh, Mater. Chem. Phys., 2010, 122, 114122.

[13] I.B. Obot, N.O. Obi-Egbedi, Der Pharm. Chem., 2009,1, 106123.

[14] I.B. OboT, N.O. Obi-Egbedi, J. Appl. Electrochem., 2010,40, 19771983.

[15] J. Narenkumar, P. Parthipan, A.U. Raja Nanthini, G.B. Kadarkarai Murugan, A. Rajasekar, 20173 Biotech , 7, 133.

[16] J. Bhawsar, P.K. Jain, J. Preeti, Alexand. Eng. J., 2015, 54, 769775.

[17] S.M. Bhola, G. Singh, B. Mishra, Int. J. Electrochem. Sci., 2013, 8, 56355642.

[18] R.K. Pathak, M. Pratiksha, Int. J. Sci. Res., 2016,5, 671675.

[19] S.U. Ofoegbu, P.U. Ofoegbu, ARPN J. Eng. Appl. Sci., 2012, 272276.

Ofoegbu, S. U., & Ofoegbu, P. U. (2012). Corrosion inhibition of mild steel in 0.1 M hydrochloric acid media by chloroquine diphosphate. ARPN Journal of Engineering and Applied Sciences7(3), 272276.

[20] I.A. Adejoro, D.C. Akintayo, C.U. Ibeji, Jordan J. Chem., 2016,11, 3849.

[21] K.F. Khaled, Corr. Sci., 2011,53, 34573465.

[22] A. Zarrouk, B. Hammouti, T. lakhlifi, M. Traisnel, H. Vezin, F. Bentiss, Corr. Sci., 2015, 90, 572584.

[23] I.B. Obot, D.D. Macdonald, Z.M. Gasem, Corr. Sci., 2015, 99, 130.

[24] P. Hohenberg, W. Kohn, Phys. Rev., 1964,140, B864B871.

[25] W. Kohn, L.J. Sham, Phys. Rev., 1965, 140, A1133A1138.

[26] R.G. Pearson, Proc. Natl. Acad. Sci. U. S. A., 1986, 83, 84408441.

[27] R.G. Parr, R.G Pearson, J. Am. Chem. Soc., 1983,105, 7512-7516.

[28] N. Chirico, P. Gramatica, J. Chem. Inf. Model., 2012, 52, 20442058.

[29] P.G. Parr, L.V. Szentpaly, S. Liu, J. Am. Chem. Soc., 1999, 121, 19221924.

[30] N.A. Wazzan, F.M. Mahgoub, Open J. Phys. Chem., 2014, 4, 614.

[31] P. Udhayakala, T.V. Rajendiran, J. Chem. Boil. Phys. Sci., 2012, 2, 172183.

[32] K. Adardour, R. Touir, M. El-Bakri, Y. Ramli, M. Touhami, H. El-Kafsaoui, C. Mubengayi, E.M. Essassi, Res. Chem. Intermed., 2013, 39, 41754188.

[33] N.O. Eddy, E.E. Ebenso, J. Mol. Model., 2010, 16, 12911306.