On the consistent use of electrophilicity index and HSAB-based electron transfer and its associated change of energy parameters

Chemical Physics Letters

Volumn 507, Issue 1-3, 2011, Pages 181-184

  Kokalj, Anton ^a   Kovačević, Nataša ^a  

^a JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

ABSOLUTE HARDNESS; ELECTRON TRANSFER; ELECTROPHILICITY INDEX; ENERGY PARAMETERS; INHIBITOR MOLECULES; METAL SURFACES; QUANTUM CHEMICAL STUDIES;

CHEMICAL BONDS; ELECTRON TRANSITIONS; ELECTRONEGATIVITY; HARDNESS; QUANTUM CHEMISTRY;

CORROSION INHIBITORS;

EID: 79955471668     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.03.045     Document Type: Article

References (50)

1. R.G. Parr, and R.G. Pearson J. Am. Chem. Soc. 105 1983 7512
2. R.G. Pearson J. Inorg. Chim. Acta 240 1995 93
3. A.T. Maynard, M. Huang, W.G. Rice, and D.G. Covell Proc. Natl. Acad. Sci. USA 95 1998 11578
4. R.G. Parr, L.v. Szentpaly, and S. Liu J. Am. Chem. Soc. 121 1999 1922
5. P.K. Chattaraj, U. Sarkar, and D.R. Roy Chem. Rev. 106 2006 2065
6. P. Thanikaivelan, V. Subramanian, J. Rao, and B. Nair Chem. Phys. Lett. 323 2000 59
7. U. Sarkar, D. Roy, P. Chattaraj, R. Parthasarathi, J. Padmanabhan, and V. Subramanian J. Chem. Sci. 117 2005 599
8. K. Gupta, D.R. Roy, V. Subramanian, and P.K. Chattaraj J. Mol. Struct. (Theochem) 812 2007 13
9. K.K. Hazarika, N.C. Baruah, and R.C. Deka Struct. Chem. 20 2009 1079
10. A. Espinosa, A. Frontera, R. Garcia, M. Soler, and A. Tarraga ARKIVOC 2005 415
11. E.E. Ebenso, T. Arslan, F. Kandemirli, I. Love, C. Ögretir, M. Saracoglu, and S.A. Umoren Int. J. Quantum Chem. 110 2010 2614
12. K. Chandrakumar, and S. Pal J. Phys. Chem. A 106 2002 11775
13. G. Madjarova, A. Tadjer, T.P. Cholakova, A.A. Dobrev, and T. Mineva J. Phys. Chem. A 109 2005 387
14. J. Olah, F.D. Proft, T. Veszprmi, and P. Geerlings J. Phys. Chem. A 109 2005 1608
15. J.P. Perdew, R.G. Parr, M. Levy, and J.L. Balduz Phys. Rev. Lett. 49 1982 1691
16. M.H. Cohen, and A. Wasserman J. Phys. Chem. A 111 2007 2229
17. P.W. Ayers J. Math. Chem. 43 2008 285
18. L. von Szentply Chem. Phys. Lett. 245 1995 209
19. V. Sastri, and J. Perumareddi Corrosion 53 1997 617
20. I. Lukovits, E. Kalman, and F. Zucchi Corrosion 57 2001 3
21. L.M. Rodriguez-Valdez, W. Villamisar, M. Casales, J.G. Gonzalez-Rodriguez, A. Martinez-Villafane, L. Martinez, and D. Glossman-Mitnik Corros. Sci. 48 2006 4053
22. H. Wang, X. Wang, H. Wang, L. Wang, and A. Liu J. Mol. Model. 13 2007 147
23. H. Ju, Z.-P. Kai, and Y. Li Corros. Sci. 50 2008 865
24. K.F. Khaled Appl. Surf. Sci. 255 2008 1811
25. K.F. Khaled, and M.A. Amin J. Appl. Electrochem. 38 2008 1609
26. N.A. Al-Mobarak, K.F. Khaled, M.N.H. Hamed, K.M. Abdel-Azim, and N.S. Abdelshafi Arabian J. Chem. 3 2010 233
27. I. Ahamad, R. Prasad, and M.A. Quraishi Corros. Sci. 52 2010 3033
28. I.B. Obot, and N.O. Obi-Egbedi Corros. Sci. 52 2010 198
29. M. Finšgar, A. Lesar, A. Kokalj, and I. Milošev Electrochim. Acta 53 2008 8287
30. A. Kokalj Electrochim. Acta 56 2010 745
31. N. Kovačević, and A. Kokalj Corros. Sci. 53 2011 909
32. A. Lesar, and I. Milošev Chem. Phys. Lett. 483 2009 198
33. S. El Issami, L. Bazzi, M. Mihit, B. Hammouti, S. Kertit, E.A. Addi, and R. Salghi Pigm. Resin. Technol. 36 2007 161
34. M.S. Masoud, M.K. Awad, M.A. Shaker, and M.M.T. El-Tahawy Corros. Sci. 52 2010 2387
35. R.M. Issa, M.K. Awad, and F.M. Atlam Appl. Surf. Sci. 255 2008 2433
36. R.G. Parr, R.A. Donnelly, M. Levy, and W.E. Palke J. Chem. Phys. 68 1978 3801
37. W. Yang, and R.G. Parr Proc. Natl. Acad. Sci. USA 82 1985 6723
38. S. Martinez, L. Valek, and I.S. Oslaković J. Electrochem. Soc. 154 2007 C671
39. I.B. Obot, and N.O. Obi-Egbedi Corros. Sci. 52 2010 657
40. J. Slater Introduction to Chemical Physics 1939 McGraw-Hill Publishing Co. Ltd. New York, USA
41. L. Kleinman Phys. Rev. B 24 1981 7412
42. N.D. Lang, and W. Kohn Phys. Rev. B 3 1971 1215
43. S. Trasatti J. Electroanal. Chem. 33 1971 351
44. K. Doll Surf. Sci. 600 2006 L321
45. H. Michaelson J. Appl. Phys. 48 1977 4729
46. J.L. Gazquez J. Phys. Chem. A 101 1997 9464
47. F. Mendez, and J.L. Gazquez J. Am. Chem. Soc. 116 1994 9298
48. R.G. Parr, and W. Yang J. Am. Chem. Soc. 106 1984 4049
49. N.W. Ashcroft, and N.D. Mermin Solid State Physics 1976 W.B. Saunders Company USA
50. R.G. Pearson Inorg. Chem. 27 1988 734