Bonding in bromine oxides: Isomers of BrO2, Br2O2 and BrO3

Journal of Molecular Structure: THEOCHEM

Volumn 467, Issue 3, 1999, Pages 223-231

  Pacios, L F ^a   Gomez P C ^b  

^a UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

Ab initio Calculations; Bromine oxides; Heats of formation; Isodesmic reactions; Torsional barriers

Indexed keywords

BROMINE DERIVATIVE; OXIDE; PEROXIDE;

ARTICLE; CHEMICAL BINDING; ENERGY TRANSFER; ENTHALPY; GEOMETRY; ISOMER;

EID: 0344564197     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00562-4     Document Type: Article

References (25)

1. Wayne R.P., Poulet G., Biggs P., Burrows J.P., Cox R.A., Crutzen P.J., Hayman G.D., Jenkins M.E., LeBras G., Moortgat G.K., Platt U., Schindler R.N. Atmos. Environ. 29:1995;2677.
2. LeBras G., Platt U. Geophys. Res. Lett. 22:1995;599.
3. Yagi K., Williams J., Yang N.Y., Cicerone R. Science. 267:1995;1979.
4. Anderson J.G., Toohey D.W., Brune W.H. Science. 251:1991;39.
5. Salawitch R.J., McElroy M.B., Yatteau J.H., Wofsky S.C., Schoeberl M.R., Lait L.R., Newman P.A., Chan K.R., Loewenstein M., Podolske J.R., Strahan S.E., Proffitt M.H. Geophys. Res. Lett. 17:1990;561.
6. Chase M.W. J. Phys. Chem. Ref. Data. 25:1996;1069.
7. Seppelt K. Acc. Chem. Res. 30:1997;111.
8. Lee T.J., Francisco J.S. Chem. Phys. Lett. 251:1996;400.
9. Francisco J.S., Hand M.R., Williams I.H. J. Phys. Chem. 100:1996;9250.
10. Lee T.J. J. Phys. Chem. 99:1995;15074.
11. Guha S., Francisco J.S. J. Phys. Chem. 101:1997;5347.
12. Francisco J.S. Chem. Phys. Lett. 288:1998;307.
13. Guha S., Francisco J.S. J. Phys. Chem. 102:1998;2072.
14. Gómez P.C., Pacios L.F. J. Phys. Chem. 100:1996;8731.
15. Pacios L.F., Gómez P.C. J. Phys. Chem. 101:1997;1767.
16. Pacios L.F., Gómez P.C. Chem. Phys. Lett. 289:1998;412.
17. Pacios L.F., Christiansen P.A. J. Chem. Phys. 82:1985;2664.
18. Pacios L.F., Gómez P.C. Int. J. Quantum. Chem. 49:1994;817.
19. Jensen F. Chem. Phys. Lett. 169:1990;519.
20. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J. V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Pittsburgh, PA, 1995.
21. Müller H.S.P., Miller C.E., Cohen E.A. Angew. Chem. Int. Ed. Engl. 35:1996;2129.
22. P.C. Gómez, L.F. Pacios, J. Phys. Chem. A, 103 (1999) 739.
23. Francisco J.S. J. Chem. Phys. 103:1995;8921.
24. Chase M.W., Davies C.A., Downey J.R., Frurip D.A., McDonald R.A., Syverud A.N. J. Phys. Chem. Ref. Data. 14:(Suppl. 1):1985;1.
25. Wagman D.D., Evans W.H., Parker V.B., Schumm R.H., Hallow I., Bailey S.M., Churney K.L., Nuttall R.L. J. Phys. Chem. Ref. Data. 11:(Suppl. 2):1982;2.