Ab initio study of the PtC molecule. A new assignment of the red bands to the 1 3Π(Ω)(Ω = 1,0+)-X 1Σ+ transitions

Physical Chemistry Chemical Physics

Volumn 2, Issue 13, 2000, Pages 2851-2856

  Minaev, Boris F ^a,b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

PLATINUM DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL BINDING; DIPOLE; ENERGY; SPECTRAL SENSITIVITY;

EID: 0034234270     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b001031f     Document Type: Article

References (26)

1. 1 P. E. M. Siegbahn and M. Svenson, J. Am. Chem. Soc., 1994, 116, 10124.
2. 2 J. J. Carroll, K. L. Haug, J. C. Weisshaar, M. R. A. Blomberg, P. E. M. Siegbahn and M. Svenson, J. Phys. Chem., 1995, 99, 13955.
3. 3 A. E. Shilov, in Activation of Saturated Hydrocarbons by Transition Metal Complexes, Reidel, Dordrecht, 1984.
4. 4 B. F. Minaev and H. Ågren, Int. J. Quantum Chem., 1999, 72, 581.
5. 5 B. F. Minaev and H. Ågren, Collect. Czech. Chem. Commun., 1995, 60, 339.
6. 6 B. F. Minaev and H. Ågren, J. Mol. Catal. A, 1999, 149, 179.
7. 7 S. A. Beaton and T. C. Steimle, J. Chem. Phys., 1999, 111, 10876.
8. 8 D. J. Brugh, T. J. Ronningen and M. D. Morse, J. Chem. Phys., 1998, 109, 7851.
9. 9 R. Scullman and B. Yttermo, Ark. Fys., 1966, 33, 231.
10. 10 O. Appelblad, C. Nilsson and R. Scullman, Phys. Scr., 1973, 7, 65.
11. 11 O. Appelblad, R. F. Barrow and R. Scullman, Proc. Phys. Soc. London, 1967, 91, 261.
12. 12 T. C. Steimle, K. Y. Jung and B.-Z. Li, J. Chem. Phys., 1995, 102, 5937.
13. 13 T. C. Steimle, K. Y. Jung and B.-Z. Li, J. Chem. Phys., 1995, 103, 1767.
14. 14 K. Y. Jung, T. C. Steimle, D. Dai and K. Balasubramanian, J. Chem. Phys., 1995, 102, 643.
15. 15 B. O. Roos, P. R. Taylor and E. M. Siegbahn, Chem. Phys., 1980, 48, 157.
16. 16 W. J. Hehre, R. Ditchfield and J. A. Pople, J. Chem. Phys., 1972, 56, 2257.
17. 17 W. J. Stevens, M. Krauss, H. Basch and P. Jasien, Can. J. Chem., 1992, 70, 612.
18. 18 S. Koseki, M. H. Schmidt and M. S. Gordon, J. Phys. Chem., 1992, 96, 10678.
19. 19 S. Koseki, M. H. Schmidt, M. S. Gordon and N. Matsunaga, J. Phys. Chem., 1995, 99, 12764.
20. 20 M. W. Schmidt, K. K. Baldridge, J. A. Boats, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su and T. L. Windus, J. Comput. Chem., 1993, 14, 1347.
21. 21 B. F. Minaev and H. Ågren, J. Mol. Struct. (THEOCHEM), 1999, 492, 53.
22. 22 N. Anderssen and B. F. Minaev, Phys. Scr., in the press.
23. 23 H. Ågren, O. Vahtras and B. F. Minaev, Adv. Quantum Chem., 1996, 27, 71.
24. 24 B. F. Minaev, Chem. Phys. Lett., in the press.
25. 25 R. A. Frosch and H. M. Foley, Phys. Rev., 1952, 88, 1337.
26. 26 R. S. Ram, J. Lievin and P. F. Bernath, J. Mol. Spectrosc., 1999, 197, 133.