Local hardness: An application to electrophilic additions

Chemical Physics Letters

Volumn 446, Issue 1-3, 2007, Pages 170-175

  Meneses, L ^a   Araya, A ^a   Pilaquinga, F ^a   Contreras, R ^b   Fuentealba, P ^b  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DEL ECUADOR   (Ecuador)

^b UNIVERSITY OF CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; ETHYLENE; FUNCTIONAL GROUPS; HARDNESS; HYDROGEN INORGANIC COMPOUNDS;

ELECTRON-WITHDRAWING GROUPS; ELECTROPHILIC ADDITIONS; MARKOVNIKOV PRODUCTS;

CHLORIDE MINERALS;

EID: 34548505255     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.07.092     Document Type: Article

References (35)

1. Markovnikov V. Liebigs Ann. Chem. 153 (1870) 228
2. March J. Advanced Organic Chemistry. fourth ed. (1992), Wiley, New York
3. Morrison R.T., and Boyd R.N. Organic Chemistry. sixth ed. (1992), Prentice-Hall, Englewood Clifs, NJ
4. Carey F.A. Organic Chemistry. third ed. (1996), McGraw-Hill, United States of America
5. Pople J.A., Frisch M.J., and Del Bene J.E. Chem. Phys. Lett. 91 (1982) 185
6. Bickelhaupt F.M., Baerends E.J., Nibbering N.M.M., and Ziegler T. J. Am. Chem. Soc. 115 (1993) 9160
7. Read W.G., and Flygare W.H. J. Chem. Phys. 76 (1982) 2238
8. McDonald S.A., Johson G.L., Keelan B.W., and Andrews L. J. Am. Chem. Soc. 102 (1980) 2892
9. Minyaev R.M., and Wales D. J. Chem. Phys. Lett. 218 (1994) 413
10. Rauk A. Orbital Interaction Theory of Organic Chemistry (1994), Wiley, New York
11. Hessley R.K. J. Chem. Educ. 77 (2000) 794
12. Suresh C.H., Koga N., and Gadre S.R. J. Org. Chem. 66 (2001) 6883
13. Aizman A., Contreras R., Galván M., Cedillo A., Santos J.C., and Chamorro E. J. Phys. Chem. A. 106 (2002) 7844
14. Padmanabhan J., Parthasarathi R., Subramanian V., and Chattaraj P.K. J. Mol. Struct. (THEOCHEM) 804 (2007) 17
15. Parr R.G., and Yang W. Density Functional Theory of Atoms and Molecules (1989), Oxford University Press, Oxford
16. Parr R.G., and Yang W. J. Am. Chem. Soc. 106 (1984) 4049
17. Fuentealba P., and Cedillo A. J. Chem. Phys. 110 (1999) 9807
18. Meneses L., Fuentealba P., and Contreras R. Tetrahedron 61/4 (2005) 831
19. Chattaraj P.K., Gómez B., Chamorro E., Santos J., and Fuentealba P. J. Phys. Chem. A 105 (2001) 8815
20. Pérez P., Toro-Labbé A., and Contreras R. J. Phys. Chem. A 104 (2000) 5882
21. Fuentealba P., Simón-Manso Y., and Chattaraj P.K. J. Phys. Chem. A 104 (2000) 3185
22. Geerlings P., De Proft F., and Langenaeker W. Chem. Rev. 103 (2003) 1793
23. Chattaraj P.K., Sarkar U., and Roy D.R. Chem. Rev. 106 6 (2006) 2065
24. Meneses L., Tiznado W., Contreras R., and Fuentealba P. Chem. Phys. Lett. 383 (2004) 181
25. Li Y., and Evans J.N.S. J. Am. Chem. Soc. 117 (1995) 7756
26. Chattaraj P.K. J. Phys. Chem. A. 105 (2001) 511
27. Chattaraj P.K., Maiti B., and Sarkar U. J. Phys. Chem. A. 107 (2003) 4973
28. Koopmans T. Physica 1 (1934) 104
29. Contreras R., Fuentealba P., Galván M., and Pérez P. Chem. Phys. Lett. 304 (1999) 405
30. Fuentealba P., Pérez P., and Contreras R. J. Chem. Phys. 113 (2000) 2544
31. M.J. Frisch et al, Gaussian 03, Revision D.01, Gaussian Inc., Wallingford CT, 2004.
32. Vargas R., Garza J., and Cedillo A. J. Phys. Chem. A. 109 (2005) 8880
33. Carey F., and Sundberg R. Advanced Organic Chemistry. Part A: Structure and Mechanisms. third ed. (1990), Plenum Press, New York
34. Anderson J.M.S., Melin J., and Ayers P.W.J. Comput. Theor. Chem. 3 (2007) 358 375
35. Saetre L.J., Thomas T.D., and Svensson S.J. Chem. Soc. Perkin Trans. 2 (1997) 749