An Electron Localization Function Study of the Lone Pair

Journal of Physical Chemistry A

Volumn 104, Issue 49, 2000, Pages 11644-11650

  Chesnut, D B ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001165443     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002957u     Document Type: Article

References (39)

1. Gillespie, R. J.; Nyholm, R. S. Q. Rev. 1957, 11, 334.
2. Gillespie, R. J. Molecular Geometry; Van Nostrand Reinhold: London, 1972.
3. Gillespie, R. J.; Hargittai, I VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. Gillespie, R. J.; Robinson, E. A. Angew. Chem. 1996, 108, 539; Angew Chem. Int. Ed. Engl. 1996, 35, 495.
4. Gillespie, R. J.; Hargittai, I VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. Gillespie, R. J.; Robinson, E. A. Angew. Chem. 1996, 108, 539; Angew Chem. Int. Ed. Engl. 1996, 35, 495.
5. Gillespie, R. J.; Hargittai, I VSEPR Model of Molecular Geometry, Allyn and Bacon, Boston, 1991. Gillespie, R. J.; Robinson, E. A. Angew. Chem. 1996, 108, 539; Angew Chem. Int. Ed. Engl. 1996, 35, 495.
6. Bader, R. F. Atoms in Molecules: A Quantum Theory; Oxford University Press: Oxford, U.K., 1994.
7. Becke, A. D.; Edgecombe, K. E. J. Chem. Phys. 1990, 92, 5397.
8. Savin, A.; Becke, A. D.; Flad, J.; Nesper, R.; Preuss, H.; von Schnering, H. G. Angew Chem. Int. Ed. Engl. 1991, 30, 409.
9. Silvi, B.; Savin, A. Nature 1994, 371, 683.
10. Savin, A.; Silvi, B.; Colonna, F. Can. J. Chem. 1996, 74, 1088.
11. Kohout, M.; Savin, A. Int. J. Quantum Chem. 1996, 60, 875.
12. Savin, A.; Nesper, R.; Wengert, S.; Fåssler, T. Angew Chem., Int. Ed. Engl. 1997, 36, 1809.
13. Marx, D.; Savin, A. Angew. Chem., Int. Ed. Engl. 1997, 36, 2077.
14. Noury, S.; Colonna, F.; Savin, A.; Silvi, B. J. Mol. Struct. 1998, 450, 59.
15. Kouhout, M.; Savin, A. J. Comput. Chem. 1997, 18, 1431.
16. Krokidis, X.; Noury, S.; Silvi, B. J. Phys. Chem. A 1997, 101, 7277.
17. Fourre, I.; Silvi, B.; Chaquin, P.; Sevin, A. J. Comput. Chem. 1999, 20, 897.
18. Fuster, F.; Silvi, B. Chem. Phys. 2000, 252, 279.
19. Fuster, F.; Sevin, A.; Silvi, B. J. Phys. Chem. A 2000, 104, 852.
20. Silvi, B.; Gatti, C. J. Phys. Chem. A 2000, 104, 947.
21. Furster, F.; Silvi, B. Theor. Chem. Acc. 2000, 104, 13.
22. Noury, S.; Krokidis, X.; Fuster, F.; Silvi, B. Comput. Chem. 1999, 23, 597.
23. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
24. Lee, C.; Yang, W.; Paar, R. G. Phys. Rev. 1988, B 37, 785.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al- Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong. M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Revision 7; Gaussian, Inc.; Pittsburgh, PA. 1998.
26. Chesnut, D. B. J. Phys. Chem. A 2000, 104, 7635.
27. Chesnut, D. B.; Quin, L. D.; Wild, S. B. Heteroatom Chem. 1997, 8, 451.
28. Savin, A.; Flad, H.-J.; Flad, J.; Preuss, H.; von Sehnering, H. J. Angew. Chem., Int. Ed. Engl. 1992, 31, 185.
29. Chesnut, D. B. Heteroatom Chem. 2000, 11, 73.
30. Choukroun, R.; Donnadieu, B.; Zhao, J.-S.; Cassoux, P.; Lepetit, C.; Silvi, B. Organometatlics 2000, 19, 1901.
31. Krokidis, X.; Goncalves, V.; Savin, A.; Silvi, B. J. Phys. Chem. 1998, 102, 5065.
32. Krokidis, X.; Vuilleumier, R.; Borgis, D.; Silvi, B. Mol. Phys. 1999, 96, 265.
33. S. F. Boys; S. F.; F. Bernardi, F. Mol. Phys. 1970, 19, 553.
34. Eliel, E. L.; Wilen, S. H.; Mander, L. N. Sterochemistry of Organic Compounds; John Wiley and Sons: New York, 1994.
35. Juaristi, E.; Cuevas, G. The Anomeric Effect: CRC Press: Boca Raton, FL, 1995.
36. Lemieux, R. U.; Chu, N. J. Abstract Papers American Chemical Society 133rd Meeting, p 31N, 1958.
37. Lemieux, R. U. Pure Appl. Chem. 1971, 25, 527.
38. Eliel, E. L. Angew. Chem., Int. Ed. Engl. 1972, 11, 739.
39. Romers, C.; Altona, C.; Buys, A. R.; Havinga, E. Top. Stereochem. 1969, 4, 39.