Core excitations of naphthalene: Vibrational structure versus chemical shifts

Journal of Chemical Physics

Volumn 121, Issue 12, 2004, Pages 5733-5739

  Minkov, I ^a   Gel'mukhanov, F ^a,e   Friedlein, R ^b   Osikowicz, W ^b   Suess, C ^b   Ohrwall G ^c   Sorensen, S L ^d   Braun, S ^b   Murdey, R ^b   Salaneck, W R ^b   Agren H ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b LINKÖPING UNIVERSITY   (Sweden)

^c UPPSALA UNIVERSITY   (Sweden)

^d LUND UNIVERSITY   (Sweden)

^e INSTITUTE OF AUTOMATION AND ELECTROMETRY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON; CARRIER CONCENTRATION; ELECTRON TRANSITIONS; HARMONIC ANALYSIS; KINETIC ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHOTOEMISSION; PHOTOIONIZATION; RELAXATION PROCESSES; X RAY PHOTOELECTRON SPECTROSCOPY;

CHEMICAL SHIFTS; EXCITATION ENERGIES; VIBRATIONAL MODES; VIBRATIONAL STRUCTURES;

NAPHTHALENE;

EID: 5444257939     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1784450     Document Type: Article

References (37)

1. Y. Ma, F. Sette, G. Meigs, S. Modesti, and C. T. Chen, Phys. Rev. Lett. 63, 2044 (1989).
2. M. Neeb, B. Kempgens, A. Kivimäki et al., J. Electron Spectrosc. Relat. Phenom. 88, 19 (1998).
3. P. Skytt, P. Glans, J.-H. Guo et al., Phys. Rev. Lett. 77, 5035 (1996).
4. V. Myrseth, K. A. Børve, K. Wiesner, M. Bässler, S. Svensson, and L. Sæthre, Phys. Chem. Chem. Phys. 4, 5937 (2002).
5. U. Hoefer, M. J. Breitschafter, and E. Umbach, Phys. Rev. Lett. 64, 3050 (1990).
6. S. Kera, H. Yamane, I. Sakuragi, K. K. Okudaira, and N. Ueno, Chem. Phys. Lett. 364, 937 (2002).
7. J. Bozek, T. X. Carrol, J. Hahne, L. J. Saethre, J. True, and T. D. Thomas, Phys. Rev. A 57, 157 (1998).
8. F. Burmeister, S. L. Sorensen, O. Björneholm et al., Phys. Rev. A 65, 012704 (2002).
9. V. Coropceanu, M. Malagoli, D. A. da Dilva Filho, N. E. Gruhn, T. G. Bill, and J. L. Brédas, Phys. Rev. Lett. 89, 275503 (2002).
10. D. A. da Silva Filho, R. Friedlein, V. Coropceanu et al., Chem. Comm (in press).
11. R. Feifel, F. Burmeister, P. Salek et al., Phys. Rev. Lett. 85, 3133 (2000).
12. A. B. Preobrajenski, A. S. Vinogradov, S. L. Molodtsov, S. K. Krasnikov, T. Chassé, R. Szargan, and C. Laubschatt, Phys. Rev. B 65, 205116 (2003).
13. R. Friedlein, S. L. Sorensen, A. Baev et al., Phys. Rev. B 69, 125204 (2004).
14. P. A. Brühwiler, O. Karis, and N. Mårtensson, Rev. Mod. Phys. 74, 703 (2002).
15. F. Gel'mukhanov and H. Ågren, Phys. Rev. B 57, 2780 (1998).
16. T. Privalov, F. Gel'mukhanov, and H. Ågren, Phys. Rev. B 59, 9243 (1999).
17. Y. Luo, H. Ågren, J. Guo, P. Skytt, N. Wassdahl, and J. Hordgren, Phys. Rev. A 52, 3730 (1995).
18. W. Osikowicz, R. Friedlein, M. P. de Jong, S. L. Sorensen, L. Groenendaal, and W. R. Salaneck (unpublished).
19. J. Stöhr, NEXAFS Spectroscopy, Springer Series in Surface Science, Vol. 25 (Springer, Berlin, 1992).
20. F. Gel'mukhanov and H. Ågren, Phys. Rev. A 49, 4378 (1994).
21. H. Köppel, F. X. Gadea, G. Klatt, J. Schirmer, and L. S. Cederbaum, J. Chem. Phys. 106, 4415 (1997).
22. W. E. Egelhoff, Jr., in Core-level Binding-energy Shifts at Surfaces and Solids, Surface Science Reports: a Review Journal, Vol. 6 (North-Holland, Amsterdam, 1987).
23. W. Domcke and L. Cederbaum, Chem. Phys. 25, 189 (1977).
24. M. Bässler, J.-O. Forsell, O. Björneholm et al., J. Electron Spectrosc. Relat. Phenom. 101, 953 (1999).
25. U. Hergenhahn, J. Phys. B 37, R89 (2004).
26. C. Kolczewski, R. Püttner, O. Plashkevych et al., J. Chem. Phys. 114, 6426 (2001).
27. V. Caravetta, O. Plashkevych, and H. Ågren, Chem. Phys. 263, 231 (2001).
28. H. Ågren, O. Vahtras, and V. Caravetta, Chem. Phys. 196, 47 (1995).
29. O. Plashkevych, T. Privalov, H. Ågren, V. Caravetta, and K. Ruud, Chem. Phys. 260, 11 (2000).
30. V. Caravetta, O. Plashkevych, and H. Ågren, J. Chem. Phys. 109, 1456 (1998).
31. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 03, Revision B.03, Gaussian, Inc., Pittsburgh, PA, 2003.
32. T. Helgaker, H. J. Aa. Jensen, P. Jorgensen et al., DALTON a molecular electronic structure program, Release 1.2 (2001).
33. M. E. Casida, C. Daul, A. Goursot et al., DEMON-KS version 4.0.
34. L. Triguero, L. G. M. Petersson, and H. Ågren, Phys. Rev. B 58, 8097 (1998).
35. A. P. Hitchcock, M. Pocock, C. E. Brion, M. S. Banna, D. C. Frost, C. A. MacDowell, and B. Wall-bank, J. Electron Spectrosc. Relat. Phenom. 13, 345 (1978).
36. W. R. Salaneck, R. H. Friend, and J. L. Brédas, Phys. Rep. 319, 231 (1999).
37. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).