Systematic analysis of substituent effects: 1. Geminal and vicinal interactions in fluorochloroethanes

Journal of Physical Chemistry

Volumn 100, Issue 48, 1996, Pages 18725-18730

  Cioslowski, Jerzy ^a,b   Varnali, Tereza ^a  

^a FLORIDA STATE UNIVERSITY   (United States)

^b BOGAZICI UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000925911     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961684t     Document Type: Article

References (20)

1. Koop, H. In Textbook of Phvsical Chemistry; Glasstone, S., Ed.; Van Nostrand: New York, 1946; p 525.
2. Prosen, E. J.; Johnson, W. H.; Rossini, F. D. J. Res. Natl. Bur. Stand. 1946, 37, 51.
3. Franklin, J. L. Ind. Eng. Chem. 1949, 41, 1070.
4. Pittam, D. A.; Pilcher, G. J. Cliem. Soc., Faraday Trans. I 1972, 6S, 2224.
5. Benson, S. W.; Cruickshank, F. R.; Golden, D. M.; Haughen, G. R.; O'Neal, H. E.; Rodaers, A. S.; Shaw, R.; Walsh, R. Chem. Rei: 1969, 69, 279. '
6. Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Tliennochemical Data of Organic Compounds; Chapman and Hall: London, 1986.
7. Janz, G. J. Estimation of Tliennodynatnic Properties of Organic Compounds; Academic Press: New York, 1958.
8. Wiberg, K. B. J. Comput. Client. 1984, 5, 197.
9. Schulman, J. M.; Disch, R. L. Chem. Pliys. Lett. 1985, 113, 291.
10. Grice, M. E.; Politzer, P. Client. Pli\s. Lett. 1995, 244, 295.
11. Mulay, L. N.; Bordeaux, E. A. Tlieoty and Application of Molecular Diamagnetism; Wiley: New York, 1976.
12. Bader, R. F. W. Atoms in Molecules; Oxford University Press: New York, 1990, pp 209-219, and references cited therein.
13. Wiberg, K. B. Angew. Cliem.. Im. Eil. Engl. 1986, 25, 312.
14. Haiton, B. In Strain in Organic Chemistry: A Perspective in Advances in Strain in Organic Chemistry; Halton, B., Éd.; JAI Press: London, 1991; Vol. 1, pp 1-18.
15. Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. Ab Initia Molecular Orbital Theory, Wiley: New York, 1986; pp 356-364.
16. See for example: Wiberg, K. B.; Rablen, P. R. J. Am. Chem. Soc. 1993, 115, 614, and references cited therein.
17. Ignacio, E. W.; Schlegel, H. B. J. Ph\s. Chem. 1992, 96, 5830.
18. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson. B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon. M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewan, J. J. P.; Pople, J. A. GAUSSIAN 92/DFT; Revision G.3; GAUSSIAN, Inc.: Pittsburgh PA, 1993.
19. Pauling, L. The Nature of the Chemical Bond; Cornell University Press: Ithaca, i960; eqs 3-12 on p 92.
20. Ochterski, J. W.; Petersson, G. A.; Wibers, K. B. J. Am. Chem. Soc. 1995, 117, 11299.