Spin uncoupling in molecular hydrogen activation by platinum clusters

Journal of Molecular Catalysis A: Chemical

Volumn 149, Issue 1-2, 1999, Pages 179-195

  Minaev, Boris ^a   Ågren, Hans ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

Author keywords

Hydrogen; Platinum; Spin uncoupling

Indexed keywords

HYDROGEN; PLATINUM;

ARTICLE; CHEMICAL BINDING; CHEMICAL REACTION; GEOMETRY; MATHEMATICAL ANALYSIS; PROTON TRANSPORT; QUANTUM CHEMISTRY; SPIN LABELING;

EID: 0033573086     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1381-1169(99)00173-9     Document Type: Article

References (41)

1. J. Chatt, L.A. Duncanson, J. Chem. Soc. (1953) 2939.
2. Low J.J., Goddard W.A. III Organometallics. 5:1986;609.
3. Siegbahn P., Blomberg M.R.A., Svensson M. J. Am. Chem. Soc. 115:1993;1952.
4. Blomberg M.R.A., Siegbahn P., Svensson M. J. Phys. Chem. 96:1992;5783.
5. Blomberg M.R.A., Siegbahn P., Svensson M. J. Am. Chem. Soc. 114:1992;6095.
6. Z.M. Muldahmetov, B.F. Minaev, G.A. Ketsle, Optical and Magnetic Properties of the Triplet State, Nauka, Alma Ata, 1983, in Russian.
7. Nakatsuji H., Matsuzaki Y., Yonesawa T. J. Chem. Phys. 88:1988;5759.
8. Balasubramanian K. J. Chem. Phys. 87:1987;2800.
9. Minaev B.F., Ågren H. Coll. Czechoslovak Chem. Commun. 60:1995;339.
10. Siegbahn P.E.M. J. Am. Chem. Soc. 118:1996;1487.
11. Wittborn A.M.C., Costas M., Blomberg M.R.A., Siegbahn P.E.M. J. Chem. Phys. 107:1997;4318.
12. A.E. Shilov, Activation of Saturated Hydrocarbons by Transition Metal Complexes, D. Riedel, Dordrecht, 1984.
13. Fayet T., Kaldor A., Cox D.M. J. Chem. Phys. 92:1990;254.
14. Trevor D.J., Kaldor A., Cox D.M. J. Am. Chem. Soc. 112:1990;3742.
15. Low J.J., Goddard W.A. III J. Am. Chem. Soc. 108:1986;6115.
16. Balasubramanian K., Feng P.Y., Liao M.Z. J. Chem. Phys. 88:1988;6956.
17. Balasubramanian K. J. Phys. Chem. 94:1991;1253.
18. Balasubramanian K. J. Chem. Phys. 105:1995;7530.
19. Koga N., Morokuma K. Chem. Rev. 91:1991;823.
20. Musaev D.G., Morokuma K. J. Phys. Chem. 100:1996;11600.
21. Cui Q., Musaev D.G., Morokuma K. J. Chem. Phys. 108:1998;8414.
22. Cui Q., Musaev D.G., Morokuma K. J. Phys. Chem. 102A:1998;6373.
23. Poulain E., Garcia-Prieto J., Ruiz M.E., Novaro O. Int. J. Quantum Chem. 29:1986;1181.
24. Swang O., Faegri K. Jr., Gropen O. J. Phys. Chem. 98:1994;3606.
25. Balasubramanian K. J. Phys. Chem. 93:1989;6585.
26. C.E. Moore, Atomic Energy Levels, Vol. III, NBS, Washington, DC, 1958.
27. Dai D., Liao D.W., Balasubramanian K. J. Chem. Phys. 102:1995;7530.
28. Dai D., Balasubramanian K. J. Chem. Phys. 103:1995;648.
29. Z.M. Muldahmetov, B.F. Minaev, S.A. Beznosjuk, Electronic Structure of Molecules, New Aspects, Nauka, Alma Ata, 1988, in Russian.
30. Minaev B.F., Ågren H. Int. J. Quantum Chem. 57:1996;510.
31. Stevens W.J., Krauss M., Basch H., Jasien P. Can. J. Chem. 70:1992;612.
32. Koseki S., Schmidt M.H., Gordon M.S. J. Phys. Chem. 96:1992;10678.
33. Schmidt M.W., Baldridge K.K., Boats J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L. J. Comput. Chem. 14:1993;1347.
34. W.J. Hehre, L. Radom, P. Schleyer, J.A. Pople, Ab Initio MO Theory, Wiley, New York, 1986.
35. B.F. Minaev, H. Ågren, Int. J. Quantum Chem. (1999).
36. Balasubramanian K. J. Chem. Phys. 87:1987;6573.
37. Mulder F., van Dijk G., Huiszoon C. Mol. Phys. 38:1973;577.
38. Triguero L., Pettersson L.G.M., Minaev B.F., Ågren H. J. Chem. Phys. 108:1998;1193.
39. Wang H., Carter E.A. J. Phys. Chem. 96:1992;1197.
40. Minaev B.F. Khim. Fizika. 3:1984;983.
41. Blomberg M.R.A., Siegbahn P., Svensson M. J. Phys. Chem. 96:1992;9794.