Modified interaction properties function for the analysis and prediction of Lewis basicities

Journal of Physical Chemistry A

Volumn 101, Issue 18, 1997, Pages 3408-3415

  Brinck, Tore ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001532741     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970222s     Document Type: Article

References (65)

1. Drago, R. S.; Wayland, B. B. J. Am. Chem. Soc. 1965, 87, 3571.
2. Drago, R. S.; Vogel, G. C.; Needham, T. E. J. Am. Chem. Soc. 1971, 93, 6014.
3. Drago, R. S.; Wong, N.; Bilgrien, C.; Vogel, G. C. Inorg. Chem. 1987, 26, 9.
4. Drago, R. S.; Kroeger, M. K. J. Am. Chem. Soc. 1981, 103, 3250.
5. Drago, R. S.; Ferris, D. C.; Wong, N. J. Am. Chem. Soc. 1990, 112, 8953.
6. Drago, R. S.; Wong, N.; Ferris, D. C. J. Am. Chem. Soc. 1991, 113, 1970.
7. Doan, P. E.; Drago, R. S. J. Am. Chem. Soc. 1982, 104, 4524.
8. Drago, R. S.; Vogel, G. C. J. Am. Chem. Soc. 1992, 114, 9527.
9. Politzer, P.; Murray, J. S.; Lane, P.; Brinck, T. J. Phys. Chem. 1993, 97, 729.
10. Brinck, T.; Murray, J. S.; Politzer, P. Int. J. Quantum. Chem. 1993, 48, 73.
11. Murray, J. S.; Lane, P.; Brinck, T.; Paulsen, K.; Grice, M. E.; Politzer, P. J. Phys. Chem. 1993, 97, 9369.
12. Brinck, T.; Murray, J. S.; Politzer, P. J. Org. Chem. 1993, 58, 7070.
13. Murray, J. S.; Brinck, T.; Politzer, P. J. Phys. Chem. 1993, 97, 13807.
14. Murray, J. S.; Brinck, T.; Lane, P.; Paulsen, K.; Politzer, P. J. Mol. Struct. (THEOCHEM) 1994, 307, 55.
15. Murray, J. S.; Politzer, P. In Quantitative Treatments of Solute/ Solvent Interactions; Politzer, P., Murray, J. S., Eds.; Elsevier: Amsterdam, 1994; Chapter 8.
16. Hagelin, H.; Murray, J. S.; Brinck, T.; Berthelot, M.; Politzer, P. Can. J. Chem. 1995, 73, 483.
17. Murray, J. S.; Brinck, T.; Politzer, P. Chem. Phys. 1996, 204, 289.
18. Francl, M. M. J. Phys. Chem. 1985, 89, 428.
19. Alkorta, I.; Villar, H. O.; Perez, J. J. J. Phys. Chem. 1993, 97, 9112.
20. Scrocco, E.; Tomasi, J. Adv. Quantum. Chem. 1978, 11, 115.
21. Politzer, P.; Daiker, K. C. In The Force Concept in Chemistry; Deb, B. M., Ed.; Van Nostrand Reinhold Co.: New York, 1981; Chapter 6.
22. Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum Press: New York, 1981.
23. Politzer, P.; Murray, J. S. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1991; Vol. 2, Chapter 7.
24. Murray, J. S.; Politzer, P. J. Org. Chem. 1991, 56, 6715.
25. Murray, J. S.; Politzer, P. J. Chem. Res. 1992, (s), 110.
26. Murray, J. S.; Brinck, T.; Grice, M. E.; Politzer, P. J. Mol. Struct. (THEOCHEM) 1992, 256, 29.
27. Murray, J. S.; Ranganathan, S.; Politzer, P. J. Org. Chem. 1991, 56, 3734.
28. Kenny, P. W. J. Chem. Soc., Perkin Trans. 2 1994, 199.
29. Dive, G.; Dehareng, D. Int. J. Quantum. Chem. 1993, 46, 127.
30. Dehareng, D.; Dive, G.; Ghuysen, J. M. J. Am. Chem. Soc. 1993, 115, 6877.
31. Brinck, T.; Murray, J. S.; Politzer, P. Mol. Phys. 1992, 76, 609.
32. Politzer, P.; Lane, P.; Murray, P.; Brinck, T. J. Phys. Chem. 1992, 96, 7938.
33. Kamlet, M. J.; Abboud, J.-L. M.; Taft, R. W. J. Am. Chem. Soc. 1977, 99,
34. Sjoberg, P.; Murray, J. S.; Brinck, T.; Politzer, P. Can. J. Chem. 1990, 68, 1440.
35. Koopmans, T. A. Physica 1933, 1, 104.
36. Brinck, T.; Murray, J. S.; Politzer, P.; Carter, R. E. J. Org. Chem. 1991, 56, 2934.
37. Brinck, T.; Murray, J. S.; Politzer, P. J. Org. Chem. 1991, 56, 5012.
38. Murray, J. S.; Brinck, T.; Politzer, P. J. Mol. Struct. (THEOCHEM) 1992, 255, 271.
39. Famini, G. R.; Marquez, B. C.; Wilson, L. Y. J. Chem. Soc., Perkin Trans. 2 1993, 775.
40. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Gonzalez, C.; Stewart, J. J. P.; Head-Gordon, M.; Pople, J. A. Gaussian 94, Rev. B.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
41. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; John Wiley and Sons: New York, 1986.
42. Murray, J. S.; Brinck, T.; Politzer, P. Int. J. Quantum. Chem., Biol. Symp. 1991, 18, 91.
43. Douglass, C. H.; Weil, D. A.; Charlier, P. A.; Eades, R. A.; Truhlar, D. G.; Dixon, D. A. In Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum Press: New York, 1981.
44. Bader, R. F. W.; Carroll, M. T.; Cheeseman, J. R.; Chang, C. J. Am. Chem. Soc. 1987, 109, 7968.
45. SAS, Vers. 6.08; SAS Institute Inc.: Cary, NC.
46. Morokuma, K. J. Chem. Phys. 1971, 55, 1236.
47. Kitaura, K.; Morokuma, K. Int. J. Quantum. Chem. 1976, 10, 325.
48. Morokuma, K. In Chemical Applications of Atomic and Molecular Electrostatic Potentials; Politzer, P., Truhlar, D. G., Eds.; Plenum Press: New York, 1981.
49. Partenheimer, W.; Epley, T. D.; Drago, R. S. J. Am. Chem. Soc. 1968, 90, 3886.
50. Vogel, G. C.; Drago, R. S. J. Am. Chem. Soc. 1970, 92, 5347.
51. Arnett, E. M.; Mitchell, E. J.; Murty, T. S. S. R. J. Am. Chem. Soc. 1974, 96, 3875.
52. Laurence, C.; Guiheneuf, G.; Wojtkowiak, B. J. Am. Chem. Soc. 1979, 101, 4793.
53. Dinur, U.; Hagler, A. T. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1991.
54. Scheiner, S. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York, 1991.
55. Fritzsche, H. Ber. Bunsen-Ces. Phys. Chem. 1964, 68, 459.
56. West, R.; Powell, D. L.; Lee, M. K. T.; Whatley, L. S. J. Am. Chem. Soc. 1964, 84, 3227.
57. Gramstadt, T. Spectrochim. Acta 1963, 19, 497.
58. Brown, D. G.; Drago, R. S.; Bolles, T. F. J. Am. Chem. Soc. 1968, 90, 5706.
59. Berthelot, M.; Gal, J. F.; Helbert, C.; Laurence, C.; Maria, P. C. J. Chim. Phys. 1985, 82, 427.
60. Berthelot, M.; Grabowski, G.; Laurence, C. Spectrochim. Acta 1985, 41A, 657.
61. Drago, R. S.; Dadmun, A. P.; Vogel, G. C. Inorg. Chem. 1993, 32, 2473.
62. Kollman, P.; Rothenberg, S. J. Am. Chem. Soc. 1976, 99, 1333.
63. Umeyama, H.; Morokuma, K. J. Am. Chem. Soc. 1976, 98, 4400.
64. Famini, G. R.; Wilson, L. Y. In Quantitative Treatments of Solute/ Solvent Interactions; Politzer, P., Murray, J. S., Eds.; Elsevier: Amsterdam, 1994.
65. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, 1.