Ab initio study of [Mg,nH2O]- reactive decay products: Structure and stability of magnesium oxide and magnesium hydroxide water cluster anions [MgO,(n - 1)H2O]-, [HMgOH,(n - 1)H2O]- and [Mg(OH)2,(n - 1)H2O]

Physical Chemistry Chemical Physics

Volumn 6, Issue 17, 2004, Pages 4268-4275

  Reinhard, Björn M ^a,b   Lagutschenkov, Anita ^a   Niedner Schatteburg, Gereon ^a  

^a France   (Germany)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; MAGNESIUM; MAGNESIUM HYDROXIDE; MAGNESIUM OXIDE; WATER;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRON; ENERGY; GEOMETRY; MOLECULAR STABILITY; MOLLER PLESSET THEORY; OXIDATION REDUCTION STATE; OXYGEN HYDROGEN BOND; QUANTUM CHEMISTRY; STOICHIOMETRY; THEORY; VALENCE BOUND STATE;

EID: 6344221442     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b405747c     Document Type: Article

References (30)

1. R. Szczepan and J. Leszczynski, J. Phys. Chem. A, 2003, 107, 949.
2. A. J. Stace, J. Phys. Chem. A, 2002, 106, 7993.
3. V. E. Bondybey and M. K. Beyer, Int. Rev. Phys. Chem., 2002, 21, 277.
4. A. J. Stace, Phys. Chem. Chem. Phys., 2001, 3, 1935.
5. G. Niedner-Schatteburg and V. E. Bondybey, Chem. Rev., 2000, 100, 4059.
6. A. W. Castleman, Jr. and K. H. Bowen, J. Phys. Chem., 1996, 100, 12911.
7. F. Misaizu, K. Tsukamoto, M. Sanekata and K. Fuke, Surf. Rev. Lett., 1996, 3, 405.
8. R. Takasu, F. Misaizu, K. Hashimoto and K. Fuke, J. Phys. Chem. A, 1997, 101, 3078.
9. K. Hashimoto, T. Kamimoto and K. Fuke, Chem. Phys. Lett., 1997, 266, 7.
10. K. Hashimoto, T. Kamimoto and K. Daigoku, J. Phys. Chem. A, 2000, 104, 3299.
11. B. M. Reinhard and G. Niedner-Schatteburg, Phys. Chem. Chem. Phys., 2003, 5, 1970.
12. M. K. Beyer, B. S. Fox, B. M. Reinhard and V. E. Bondybey, J. Chem. Phys., 2001, 115, 9288.
13. J. V. Coe, G. H. Lee, J. G. Eaton, S. T. Arnold, H. W. Sarkas, K. H. Bowen, C. Ludewigt, H. Haberland and D. R. Worsnop, J. Chem. Phys., 1990, 92, 3980.
14. B. M. Reinhard and G. Niedner-Schatteburg, Phys. Chem. Chem. Phys., 2002, 4, 1471.
15. B. M. Reinhard and G. Niedner-Schatteburg, J. Chem. Phys., 2003, 118, 3571.
16. C. Berg, U. Achatz, M. Beyer, S. Joos, G. Albert, T. Schindler, G. Niedner-Schatteburg and V. E. Bondybey, Int. J. Mass Spectrom. Ion Processes, 1997, 167/168, 723.
17. C. Berg, M. Beyer, U. Achatz, S. Joos, G. Niedner-Schatteburg and V. E. Bondybey, Chem. Phys., 1998, 239, 379.
18. F. Misaizu, M. Sanekata, K. Tsukamoto, K. Fuke and S. Iwata, J. Phys. Chem., 1992, 96, 8259.
19. F. Misaizu, M. Sanekata, K. Fuke and S. Iwata, J. Chem. Phys., 1994, 100, 1161.
20. M. Sanekata, F. Misaizu, K. Fuke, S. Iwata and K. Hashimoto, J. Am. Chem. Soc., 1995, 117, 747.
21. A. C. Harms, S. N. Khanna, B. Chen and A. W. Castleman, Jr., J. Chem. Phys., 1994, 100, 3540.
22. F. Weigend and M. Häser, Theor. Chem. Acc., 1997, 97, 331.
23. F. Weigend, M. Häser, H. Patzelt and R. Ahlrichs, Chem. Phys. Lett., 1998, 294, 143.
24. A. Schäfer, C. Huber and R. Ahlrichs, J. Chem. Phys., 1994, 100, 5829.
25. F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys., 1999, 1, 4537.
26. B. M. Reinhard and G. Niedner-Schatteburg, J. Phys. Chem. A, 2002, 106, 7988.
27. K. S. Kim, I. Park, S. Lee, K. Cho, J. Y. Lee, K. Kim and J. D. Joannopoulos, Phys. Rev. Lett., 1996, 76, 956.
28. J. Kim, J. Y. Lee, K. S. Oh, J. M. Park, S. Lee and K. S. Kim, Phys. Rev. A., 1999,59, R930.
29. S. Lee, J. Kim, S. J. Lee and K. S. Kim, Phys. Rev. Lett., 1997, 79, 2038.
30. Kit H. Bowen, Johns Hopkins University, personal communication, 2003.