Molecular-field splitting and vibrational structure in the phosphorus 2p photoelectron spectrum of PF3

Journal of Chemical Physics

Volumn 111, Issue 10, 1999, Pages 4472-4477

  Børve, Knut J ^a   Sæthre, Leif J ^a   Bozek, John D ^b   True, Jan ^c   Thomas, T Darrah ^c  

^a UNIVERSITY OF BERGEN   (Norway)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c OREGON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037601510     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479739     Document Type: Article

References (29)

1. F. Schlachter and J. Bozek, Acta Phys. Pol. A 91, 623 (1997);
2. J. Bozek, F. Schlachter, T. Morgan, and C. Cisneros (unpublished).
3. S. Svensson, A. Ausmees, S. J. Osborne, G. Bray, F. Gel'mukhanov, H. Ågren, A. Naves de Brito, O.-P. Sairanen, A. Kivimäki, E. Nõmmiste, H. Aksela, and S. Aksela, Phys. Rev. Lett. 72, 3021 (1994).
4. M. R. F. Siggel, C. Field, L. J. Sæthre, K. J. Børve, and T. D. Thomas, J. Chem. Phys. 105, 9035 (1996).
5. H. Aksela, E. Kukk, S. Aksela, O.-P. Sairanen, A. Kivimäki, E. Nõmmiste, A. Ausmees, S. J. Osborne, and S. Svensson, J. Phys. B 28, 4259 (1995).
6. K. J. Børve, S. Svensson, and L. J. Sæthre, Chem. Phys. Lett. (1999).
7. K. J. Børve and T. D. Thomas, J. Chem. Phys. 111, 4478 (1999), following paper.
8. S. C. Avanzino, W. L. Jolly, T. F. Schaaf, and H. R. Allcock, Inorg. Chem. 16, 2046 (1977).
9. P. van der Straten, R. Morgenstern, and A. Niehaus, Z. Phys. D 8, 35 (1988).
10. T. X. Carroll, N. Berrah, J. Bozek, J. Hahne, E. Kukk, L. J. Sæthre, and T. D. Thomas, Phys. Rev. A 59, 3386 (1999).
11. ω, as obtained here, differs from the harmonic frequency for this mode by contributions from anharmonic coupling to the other modes.
12. W. L. Jolly, in Electron Spectroscopy, edited by D. A. Shirley (North Holland, Amsterdam, 1972), p. 629;
13. D. B. Adams, J. Electron Spectrosc. Relat. Phenom. 61, 241 (1993).
14. K. Andersson, M. R. A. Blomberg, M. P. Fülscher, G. Karlström, R. Lindh, P.-Å. Malmqvist, P. Neogrády, J. Olsen, B. O. Roos, A. J. Sadlej, M. Schütz, L. Seijo, L. Serrano-Andrés, P. E. M. Siegbahn, P.-O. Widmark, MOLCAS, 4th ed. (Lund University, Lund, Sweden, 1997).
15. D. P. Chong, and S. R. Langhoff, J. Chem. Phys. 84, 5606 (1986).
16. K. Pierloot, B. Dumez, P.-O. Widmark, and B. O. Roos, Theor. Chim. Acta 90, 87 (1995).
17. The f functions were chosen according to P.-O. Widmark, B. J. Persson, and B. O. Roos, Theor. Chim. Acta 79, 419 (1991).
18. K. J. Børve, M. A. Sierka, and K. Todnem, Mol. Opt. 1 (University of Bergen, Bergen, Norway, 1995).
19. T. Karlsen and K. J. Børve (unpublished).
20. Y. Morino, K. Kuchitsu, and T. Moritani, Inorg. Chem. 8, 867 (1969).
21. T. Shinamouchi, Tables of Vibrational Frequencies, NSRDS-NBS 39 (U.S. Government Printing Office, Washington, DC, 1972).
22. J. Bozek, T. X. Carroll, J. Hahne, L. J. Sæthre, J. True, and T. D. Thomas, Phys. Rev. A 57, 157 (1998).
23. T. D. Thomas, L. J. Sæthre, S. L. Sorensen, and S. Svensson, J. Chem. Phys. 109, 1041 (1998).
24. 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, and J. A. Pople, GAUSSIAN 94, Revision B.1, (Gaussian, Pittsburgh, PA, 1995).
25. J. A. Pople, A. P. Scott, M. W. Wong, and L. Radom, Isr. J. Chem. 33, 345 (1993);
26. A. P. Scott and L. Radom, J. Phys. Chem. 100, 16502 (1996).
27. F. Ansbacher, Z. Naturforsch. 14a, 989 (1959).
28. R. P. Gupta, J. S. Tse, and G. M. Bancroft, Philos. Trans. R. Soc. London, Ser. A 293, 535 (1980).
29. K. J. Børve, Chem. Phys. Lett. 262, 801 (1996).