A theoretical investigation of the reaction of oxygen difluoride with nitrosyl fluoride

Journal of Fluorine Chemistry

Volumn 106, Issue 1, 2000, Pages 7-11

  Klapötke, Thomas M ^a   Harcourt, Richard D ^b  

^a UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

Ab initio; Nitrogen fluorine compounds; Oxygen fluorine compounds; Valence bond

Indexed keywords

EID: 0041525949     PISSN: 00221139     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-1139(00)00263-3     Document Type: Article

References (36)

1. Ruff O., Menzel W., Neumann W. Z. Anorg. Allg. Chem. 208:1932;293.
2. A.B. Burg, in: J.H. Simons (Ed.), Fluorine Chemistry, Vol. 1, Academic Press, New York, 1950, pp. 88-90.
3. Gmelin Handbook of Inorganic Chemistry, Fluorine: Compounds with O and N, 8th Edition, Suppl. Vol. 4, Springer, Berlin, 1986, p. 54.
4. Rubinstein M., Sicre J.E., Schumacher H.J. Z. Phys. Chem. 43:1964;51.
5. Streng A.G. Chem. Rev. 63:1963;607.
6. Gmelin Handbook of Inorganic Chemistry, Fluorine: Compounds with N, 8th Edition, Suppl. Vol. 5, Springer, Berlin, 1986, p. 156.
7. Bruna P.J., Sicre J.E., Schumacher H.J. Ann. Soc. Cient. Arg. 194:1972;69.
8. E.W. Lawless, I.C. Smith, Inorganic High-Energy Oxidizers, Marcel Dekker, New York, 1968, p. 213.
9. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.3, Gaussian, Inc., Pittsburgh, PA, 1998.
10. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
11. McLean A.D., Chandler G.S. J. Chem. Phys. 72:1980;5639.
12. J.B. Foresman, A. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd Edition, Gaussian, Inc., Pittsburgh, PA, 1993.
13. T.M. Klapötke, in: E. Riedel (Ed.), Moderne Anorganische Chemie, Walter de Gruyter, Berlin, New York, 1999, pp. 34-40.
14. D.A. Dixon, D. Feller, Computational Thermochemistry of fluorinated compounds, in: Proceedings of the 14th ACS Winter Fluorine Conference, St. Petersburg, FL, 17-22 January 1999, (Abstract No. 29).
15. Wang F., Harcourt R.D. J. Phys. Chem. (A). 104:2000;1304.
16. T.M. Klapötke, A. Schulz, Quantenmechanische Methoden in der Hauptgruppenchemie, Spektrum, Heidelberg, 1996, p. 92.
17. Hammond S.G. J. Am. Chem. Soc. 77:1955;344.
18. Ganguli P.S., McGee H.A. Jr. Inorg. Chem. 12:1972;3071.
19. R.D. Harcourt, Qualitative valence-bond descriptions of electron-rich molecules: Pauling '3-electron bonds' and 'increased-valence' theory, in: Lecture Notes in Chemistry, Vol. 30, Springer, Berlin, New York, 1982, pp. 18-22.
20. R.D. Harcourt, in: T.M. Klapötke, A. Schulz (Eds.), Quantum Chemical Methods in Main-Group Chemistry, Wiley, Chichester, New York, 1998 (Chapter 16).
21. Yamada C., Hirota E. J. Chem. Phys. 80:1984;4694.
22. D.J. Klein, N. Trinajstić, Valence Bond Theory and Chemical Structure, Elsevier, Amsterdam, 1990, p. 251.
23. Harcourt R.D. J. Mol. Struct. (Theochem.). 186:1989;131.
24. Bartlett R.J., Silver D.M. J. Chem. Phys. 62:1975;3258.
25. Pople J.A., Binkley J.S., Seeger R. Int. J. Quant. Chem., Quant. Chem. Symp. 10:1976;1.
26. Pople J.A., Seeger R., Krishnan R. Int. J. Quant. Chem., Quant. Chem. Symp. 11:1977;1.
27. Saebo S., Almlof J. Chem. Phys. Lett. 154:1989;83.
28. Head-Gordon M., Pople J.A., Frisch M.J. Chem. Phys. Lett. 153:1988;503.
29. M.J. Frisch, M. Head-Gordon, J.A. Pople, Chem. Phys. Lett. 166 (1990) 275 and 281.
30. Head-Gordon M., Head-Gordon T. Chem. Phys. Lett. 220:1994;122.
31. Krishnan R., Binkley J.S., Seeger R., Pople J.A. J. Chem. Phys. 72:1980;650.
32. T.M. Klapötke, A. Schulz, R.D. Harcourt, Quantum Chemical Methods in Main-Group Chemistry, Wiley, Chichester, New York, 1998, p. 89.
33. Lendvay G. J. Phys. Chem. 98:1994;6098.
34. Harcourt R.D. J. Chem. Ed. 62:1985;99.
35. Harcourt R.D. J. Mol. Struct. 5:1970;199.
36. R.D. Harcourt, Valence Bond Theory and Chemical Structure, Elsevier, Amsterdam, 1990, p. 251 (Chapter 6).