How the topological analysis of the electron localization function accounts for the inductive effect

Journal of Molecular Structure: THEOCHEM

Volumn 811, Issue 1-3, 2007, Pages 69-76

  Fourré, Isabelle ^a   Gérard, Hélène ^a   Silvi, Bernard ^a  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34248140724     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.01.024     Document Type: Article

References (54)

1. Ingold C.K. Structure and Mechanisms in Organic Chemistry (1953), Bell and Sons, London
2. Lewis G.N. Valence and the Structure of Atoms and Molecules (1923), Dover, New York reed. Dover, New York, (1966)
3. McNaught A.D., and Wilkinson A. Compendium of Chemical Terminology The Gold Book. second ed. (1997), Blackwell Science, Oxford
4. Minkin V.I. Pure Appl. Chem. 71 (1999) 1919
5. Taft Jr. R.W. J. Am. Chem. Soc. 75 (1953) 4231
6. Taft Jr. R.W. In: Newman M.S. (Ed). Steric Effects in Organic Chemistry (1956), Wiley, New York 556-675
7. Taft Jr. R.W., and Lewis I.C. J. Am. Chem. Soc. 80 (1958) 2436
8. Hansch C., Leo A., and Taft R.W. Chem. Rev. 91 (1991) 165
9. Exner O. J. Phys. Org. Chem. 12 (1999) 265
10. Exner O., and Böhm S. J. Phys. Org. Chem. 19 (2006) 393
11. Exner O., Charton M., and Galkin V.I. J. Phys. Org. Chem. 12 (1999) 289
12. Derick C.G. J. Am. Chem. Soc. 33 (1911) 1152
13. Branch G.K., and Calvin M. The Theory of Organic Chemistry (1941), Prentice-Hall, Englewood Chiffs, NJ
14. Kirkwood J.G., and Westheimer F.H. J. Chem. Phys. 6 (1938) 506
15. Westheimer F.H., and Shookhoff M.W. J. Am. Chem. Soc. 61 (1939) 555
16. Westheimer F.H., Jones W.A., and Lad R.A. J. Chem. Phys. 10 (1942) 478
17. Exner O., and Fiedler P. Collect. Czech. Chem. Commun. 45 (1980) 1251
18. Charton M. J. Phys. Org. Chem. 12 (1999) 275
19. Marchington A.F., Moore S.C.R., and Richards W.G. J. Am. Chem. Soc. 101 (1979) 5529
20. Dean S.M., and Richards W.G. Nature 256 (1975) 473
21. Siggel M.R.F., Streitwieser Jr. A., and Thomas T.D. J. Am. Chem. Soc. 110 (1988) 8022
22. Bader R.F.W. Atoms in Molecules: A Quantum Theory (1990), Oxford Univ. Press, Oxford
23. Silvi B., and Savin A. Nature 371 (1994) 683
24. Abraham R.H., and Shaw C.D. Dynamics: The Geometry of Behavior (1992), Addison Wesley
25. Abraham R.H., and Marsden J.E. Foundations of Mechanics (1994), Addison Wesley
26. Pendás A.M., Blanco M.A., Costales A., Mori Sánchez P., and Luaña V. Phys. Rev. Lett. 83 (1999) 1930
27. Silvi B. J. Phys. Chem. A 107 (2003) 3081
28. Becke A.D., and Edgecombe K.E. J. Chem. Phys. 92 (1990) 5397
29. Matito E., Silvi B., Duran M., and Solà M. J. Chem. Phys. 125 (2006) 024301
30. Häussermann U., Wengert S., and Nesper R. Angew. Chem. Int. Ed. Engl. 33 (1994) 2069
31. Silvi B. J. Mol. Struct. 614 (2002) 3
32. Lewis G.N. J. Am. Chem. Soc. 38 (1916) 762
33. Silvi B. Phys. Chem. Chem. Phys. 6 (2004) 256
34. Poater J., Duran M., Solà M., and Silvi B. Chem. Rev. 105 (2005) 3911
35. Raub S., and Jansen G. Theor. Chem. Acc. 106 (2001) 223
36. Becke A.D. J. Chem. Phys. 98 (1993) 5648
37. Becke A.D. Phys. Rev. A 38 (1988) 3098
38. Lee C., Yang Y., and Parr R.G. Phys. Rev. B37 (1988) 785
39. Miechlich B., Savin A., Stoll H., and Preuss H. Chem. Phys. Lett. 157 (1989) 200
40. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, A.L.G. Liu, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision A.1., Gaussian Inc., Pittsburgh PA, 2003.
41. Hehre W.J., Ditchfield R., and Pople J.A. J. Chem. Phys. 56 (1972) 2257
42. Gordon M.S. Chem. Phys. Lett. 76 (1980) 163
43. Noury S., Krokidis X., Fuster F., and Silvi B. TopMoD Package (1997)
44. Noury S., Krokidis X., Fuster F., and Silvi B. Comput. Chem. 23 (1999) 597
45. Amira 3.0. TGS, Template Graphics Sofware, Inc., San Diego, USA, 2002.
46. Sanderson R.T. Polar Covalence (1983), Academic Press, New York
47. Allred A.L., and Rochov E.G. J. Inorg. Nucl. Chem. 5 (1958) 264
48. Wells P.R. Prog. Phys. Org. Chem. 6 (1968) 111
49. Charton M. Prog. Phys. Org. Chem. 13 (1981) 119
50. Exner O., and Böm S. J. Phys. Org. Chem. 17 (2004) 124
51. March J. Advanced Organic Chemistry. fourth ed. (1992), John Wiley and Sons, New-York
52. Bolton P.D., and Hepler L.G. Q. Rev. Chem. Soc. 25 (1971) 521
53. Haberfield P., and Rakshit A.K. J. Am. Chem. Soc. 98 (1976) 4393
54. Wiberg K.B., Clifford S., Jorgensen W.L., and Frisch M. J. Phys. Chem. A 104 (2000) 7625