On the identification of favourable factors for corrosion inhibition of aluminium by 8-hydroxyquinoline and its derivatives: DFT and electrochemical studies

1. 8-Hydroxyquinolines in metallo-supramolecular chemistry10.1016/j.ccr.2007.06.003 ↗

2. Removal of copper, nickel and zinc ions from aqueous solution by chitosan-8-hydroxyquinoline beads

3. NMR, DFT and luminescence studies of the complexation of Al(III) with 8-hydroxyquinoline-5-sulfonate10.1039/c2dt31381b ↗

4. Organic electroluminescent diodes10.1063/1.98799 ↗

5. Three-color, tunable, organic light-emitting devices10.1126/science.276.5321.2009 ↗

6. 8-Hydroxyquinolines: a review of their metal chelating properties and medicinal applications10.2147/DDDT.S49763 ↗

7. An investigation of the corrosion inhibition of pure aluminum in neutral and acidic chloride solutions10.1016/0013-4686(95)00472-6 ↗

8. High effective organic corrosion inhibitors for 2024 aluminium alloy10.1016/j.electacta.2007.05.058 ↗

9. Synergistic effect between 8-hydroxyquinoline and benzotriazole for the corrosion protection of 2024 aluminium alloy: a local electrochemical impedance approach10.1016/j.corsci.2015.09.002 ↗

10. Influence of 8-hydroxyquinoline addition on the corrosion behavior of commercial Al and Al-HO411 alloys in NaOH aqueous media10.1016/j.corsci.2011.05.045 ↗

11. Quinoline and its derivatives as corrosion inhibitors: a review10.1016/j.surfin.2020.100634 ↗

12. Improved determination of aluminium species in waters using FIA separation/fluorimetric detection techniques10.1080/03067319308027594 ↗

13. Corrosion behavior of aluminum alloy 2024-T3 by 8-hydroxy-quinoline and its derivative in 3.5% chloride solution10.1016/S1003-6326(07)60092-2 ↗

14. Corrosion inhibitors—correlation between electronic structure and efficiency10.5006/1.3290328 ↗

15. Drugs: a review of promising novel corrosion inhibitors10.1016/j.corsci.2011.08.006 ↗

16. Simplistic correlations between molecular electronic properties and inhibition efficiencies: do they really exist?10.1016/j.corsci.2020.108856 ↗

17. On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies10.1016/j.corsci.2020.109016 ↗

18. Molecular modeling of corrosion inhibitors

19. On the estimation of standard adsorption free energy from corrosion inhibition efficiencies10.1016/j.corsci.2023.111139 ↗

20. Towards rational design of organic copper corrosion inhibitors: high-throughput computational evaluation of standard adsorption Gibbs energy10.1016/j.corsci.2023.111783 ↗

21. The roles of mercapto, benzene and methyl groups in the corrosion inhibition of imidazoles on copper: II. Inhibitor-copper bonding10.1016/j.corsci.2015.05.041 ↗

22. DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface10.1039/C5CP03095A ↗

23. Corrosion protection of Al (111) by 8-hydroxyquinoline: a comprehensive DFT study10.1039/C8CP03312A ↗

24. 8-Hydroxyquinoline complexes (Alq3) on Al (111): atomic scale structure, energetics and charge distribution10.1039/D0NJ02824J ↗

25. Topological analysis of hydroxyquinoline derivatives interacting with aluminum cations or with an Al (111) surface10.1021/acs.inorgchem.0c01972 ↗

26. Insight at the atomic scale of corrosion inhibition: DFT study of 8-hydroxyquinoline on oxidized aluminum surfaces10.1039/D2CP04626A ↗

27. Corrosion inhibition of 2024 aluminium alloy by sodium decanoate10.1016/j.electacta.2009.10.080 ↗

28. Impedance analysis of film-forming amines for the corrosion protection of a carbon steel10.1016/j.electacta.2018.06.189 ↗

29. Film-forming amines adsorption and corrosion kinetics on carbon steel surface in neutral solution investigated by EIS and PM-IRRAS analysis10.1016/j.electacta.2023.141925 ↗

30. Comparison of different methods for measuring the passive film thickness on metals10.1016/j.electacta.2015.12.173 ↗

31. On the stability of the oxides film formed on a magnesium alloy containing rare-earth elements10.1016/j.electacta.2018.08.093 ↗

32. Gaussian 09, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox, Gaussian, Inc., Wallingford CT, 2009.

33. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗

34. Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗

35. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗

36. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗

37. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗

38. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy10.1039/b508541a ↗

39. Accurate Coulomb-fitting basis sets for H to Rn10.1039/b515623h ↗

40. Semi empirical GGA-type density functional constructed with a long-range dispersion correction10.1002/jcc.20495 ↗

41. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu10.1063/1.3382344 ↗

42. Universal solvation model based on solute electron density and a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions10.1021/jp810292n ↗

43. SM6: a density functional theory continuum solvation model for calculating aqueous solvation free energies of neutrals, ions, and solute-water clusters10.1021/ct050164b ↗

44. Self-consistent reaction field model for aqueous and nonaqueous solutions based on accurate polarized partial charges10.1021/ct7001418 ↗

45. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions10.1021/jp810292n ↗

46. Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances10.1063/1.1579474 ↗

47. Generalized gradient approximation made simple10.1103/PhysRevLett.78.1396 ↗

48. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗

49. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗

50. High-precision sampling for Brillouin-zone integration in metals10.1103/PhysRevB.40.3616 ↗

51. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗

52. The effect of surface geometry of copper on adsorption of benzotriazole and Cl. Part I10.1021/jp409717e ↗

53. Insight into the bonding of silanols to oxidized aluminum surfaces10.1021/acs.jpcc.7b12552 ↗

54. The relation between adsorption bonding and corrosion inhibition of azole molecules on copper10.1016/j.corsci.2013.03.016 ↗

55. Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways10.1063/1.4865107 ↗

56. Implicit self-consistent electrolyte model in plane-wave density-functional theory10.1063/1.5132354 ↗

57. A grid-based Bader analysis algorithm without lattice bias

58. VESTA: a three-dimensional visualization system for electronic and structural analysis10.1107/S0021889808012016 ↗

59. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗

60. What determines the inhibition effectiveness of ATA, BTAH, and BTAOH corrosion inhibitors on copper?10.1021/ja107704y ↗

61. Crystal-face specificity of electrical double-layer parameters at metal/solution interfaces10.1039/ft9959103311 ↗

62. Excited-state processes in 8-hydroxyquinoline: photoinduced tautomerization and solvation effects10.1021/jp971293u ↗

63. Stabilities of chelates of certain substituted 8-quinolinols10.1021/ic50005a023 ↗

64. Theoretical determination of the pKas of the 8-hydroxyquinoline-5-sulfonic acid: a DFT based approach10.1016/j.cplett.2009.02.072 ↗

65. The gold/ampicillin interface at the atomic scale10.1039/C5NR03318G ↗

66. On the role of intermolecular interactions in stabilizing AuNP@Ampicillin nano-antibiotics10.1016/j.mtla.2018.09.036 ↗

67. Blue luminescence of facial Tris(quinolin-8-olato)aluminum(III) in solution, crystals, and thin films10.1002/adma.200305421 ↗

68. Solid State Preparation of the (8-Hydroxyquinolinato)Aluminum(Iii) Complex from Aluminum Isopropoxide and 8-Hydroxyquinoline10.1080/00945719909351733 ↗

69. The use of quantum chemical methods in corrosion inhibitor studies10.1016/j.corsci.2008.08.043 ↗

70. Daubert · 1989

71. Enthalpies of combustion, vapour pressures, and enthalpies of sublimation of 8-hydroxyquinoline, 5-nitro-8-hydroxyquinoline, and 2-methyl-8-hydroxyquinoline10.1016/0021-9614(89)90127-4 ↗

72. Vapour pressures and enthalpies of sublimation of six halogen-substituted 8-hydroxyquinolines10.1016/S0021-9614(05)80078-3 ↗

73. https://pubchem.ncbi.nlm.nih.gov.

74. Molecular modeling of organic corrosion inhibitors: why bare metal cations are not appropriate models of oxidized metal surfaces and solvated metal cations