Structure and stability of xenon insertion compounds of hypohalous acids, HXeOX [X=F, Cl, and Br]: An ab initio investigation

Journal of Chemical Physics

Volumn 124, Issue 16, 2006, Pages

  Jayasekharan, T ^a   Ghanty, T K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; INORGANIC ACIDS; MOLECULAR STRUCTURE; PHOTOLYSIS; POTENTIAL ENERGY;

HXEOF; HYPOHALOUS ACIDS; LOWEST-ENERGY FRAGMENTATION PRODUCTS; MOLECULAR ORBITALS;

XENON;

EID: 34547853770     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2193515     Document Type: Article

References (37)

1. N. Bartlett, Proc. Chem. Soc., London 218, (1962).
2. L. Y. Nelson and G. C. Primental, Inorg. Chem. 6, 758 (1967).
3. J. J. Turner and G. C. Primental, Science 140, 974 (1963).
4. L. Stein, Nature (London) 243, 30 (1973).
5. J. M. Holloway and E. G. Hope, Adv. Inorg. Chem. 46, 51 (1999).
6. J. Li, B. E. Bursten, B. Liang, and L. Andrews, Science 295, 2242 (2002).
7. S. Seidel and K. Seppelt, Science 290, 117 (2000).
8. C. J. Evans and M. C. L. Gerry, J. Chem. Phys. 112, 1321 (2000).
9. C. J. Evans and M. C. L. Gerry, J. Chem. Phys. 112, 9363 (2000).
10. S. A. Cooke and M. C. L. Gerry, J. Am. Chem. Soc. 126, 17000 (2004), and references therein.
11. M. Pettersson, J. Lundell, and M. Räsänen, J. Chem. Phys. 102, 6423 (1995).
12. M. Pettersson, J. Lundell, and M. Räsänen, J. Chem. Phys. 103, 205 (1995).
13. L. Khriactchev, M. Pettersson, N. Runeberg, J. Lundell, and M. Räsänen, Nature (London) 406, 874 (2000).
14. M. Pettersson, J. Lundell, L. Khriachtchev, and M. Räsänen, J. Chem. Phys. 109, 618 (1998).
15. M. Pettersson, J. Lundell, L. Khriachtchev, E. Isoniemi, and M. Räsänen, J. Am. Chem. Soc. 120, 7979 (1998).
16. E. Isoniemi, M. Pettersson, L. Khriachtchev, J. Lundell, and M. Räsänen, J. Phys. Chem. A 103, 679 (1999).
17. M. Pettersson, L. Khriachtchev, J. Lundell, and M. Räsänen, J. Am. Chem. Soc. 121, 11904 (1999).
18. R. B. Gerber, Annu. Rev. Phys. Chem. 55, 55 (2004).
19. M. Pettersson, L. Khriachtchev, J. Lundell, and M. Räsänen, in Inorganic Chemistry in Focus II, edited by, G. Meyer, D. Naumann, and, L. Wesemann, (Wiley, Weinheim, 2005), pp. 15-34.
20. S. Berski, Z. Latajka, B. Silvi, and J. Lundell, J. Chem. Phys. 114, 4349 (2001); S. Berski, B. Silvi, J. Lundell, S. Noury, and Z. Latajka, in New Trends in Quantum Systems in Chemistry and Physics, edited by, J. Maruani, (Kluwer, Dordrecht, 2001), Vol. 1, pp. 259-279.
21. S. Berski, Z. Latajka, B. Silvi, and J. Lundell, J. Chem. Phys. 114, 4349 (2001); S. Berski, B. Silvi, J. Lundell, S. Noury, and Z. Latajka, in New Trends in Quantum Systems in Chemistry and Physics, edited by, J. Maruani, (Kluwer, Dordrecht, 2001), Vol. 1, pp. 259-279.
22. L. Khriachtchev, H. Tanskanen, J. Lundell, M. Pettersson, H. Kiljunen, and M. Räsänen, J. Am. Chem. Soc. 125, 4696 (2003).
23. H. Tanskanen, L. Khriachtchev, J. Lundell, H. Kiljunen, and M. Räsänen, J. Am. Chem. Soc. 125, 13631 (2003).
24. T. K. Ghanty, J. Chem. Phys. 123, 074323 (2005).
25. T. K. Ghanty, J. Chem. Phys. 124, 124304 (2006).
26. F. S. Rowland and M. J. Molina, Rev. Geophys. 13, 21 (1975).
27. M. P. McGrath and F. S. Rowland, J. Phys. Chem. 100, 4815 (1996).
28. M. N. Glukhovstev, A. Pross, and L. Radom, J. Phys. Chem. 100, 3498 (1996).
29. T. K. Ghanty and S. K. Ghosh, J. Phys. Chem. A 101, 5022 (1997).
30. S. Berski, Z. Latajka, and J. Leszczynski, J. Chem. Phys. 111, 2542 (1999).
31. M. W. Schmidt, K. K. BalDridge, J. A. Boatz, J. Comput. Chem. 14, 1347 (1993).
32. M. J. Frisch, M. Head-Gordon, and J. A. Pople, Chem. Phys. Lett. 166, 275 (1990).
33. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990); Institüt fur Theoretische Chemie, Univerität Stuttgart, ECPs, and corresponding Valence basis set; http://www. Theochem. Uni-stuttgart.de
34. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990); Institüt fur Theoretische Chemie, Univerität Stuttgart, ECPs, and corresponding Valence basis set; http://www. Theochem. Uni-stuttgart.de
35. R. W. Bickes, Jr., B. Lantzsch, J. P. Toennies, and K. Walaschewski, Faraday Discuss. Chem. Soc. 55, 167 (1973).
36. N. Bartlett, M. Wechsberg, G. R. Jones, and R. D. Burbank, Inorg. Chem. 11, 1124 (1972).
37. J. Lundell, M. Pettersson, and M. Räsänen, Comput. Chem. (Oxford) 24, 325 (2000).