A study of the valence shell electronic structure of hexafluorobenzene using photoabsorption and photoelectron spectroscopy, and TDDFT calculations

Journal of Physics B: Atomic, Molecular and Optical Physics

Volumn 42, Issue 24, 2009, Pages

  Holland, D M P ^a   Shaw, D A ^a   Stener, M ^b,c   Decleva, P ^b,c  

^a DARESBURY LABORATORY   (United Kingdom)

^b UNIVERSITY OF TRIESTE   (Italy)

^c DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

HEXAFLUOROBENZENE; PHOTOABSORPTIONS; TDDFT CALCULATIONS; VALENCE SHELLS;

EID: 84876901529     PISSN: 09534075     EISSN: 13616455     Source Type: Journal    
DOI: 10.1088/0953-4075/42/24/245201     Document Type: Article

References (64)

1. Decleva P, Stener M, Holland D M P, Potts A W and Karlsson L 2007 J. Phys. B: At. Mol. Opt. Phys. 40 2939
2. Stener M, Furlan S and Decleva P 2001 Phys. Chem. Chem. Phys. 3 19
3. Bieri G, A sbrink L and von Niessen W 1981 J. Electron Spectrosc. Relat. Phenom. 23 281
4. Bieri G and Asbrink L 1980 J. Electron Spectrosc. Relat. Phenom. 20 149
5. Smith D R and Raymonda J W 1971 Chem. Phys. Lett. 12 269
6. Gilbert R, Sauvageau P and Sandorfy C 1972 Can. J. Chem. 50 543
7. Sluse-Goffart C and Momigny J 1974 Chem. Phys. Lett. 25 231
8. Ockenga K E, Gurtler P, Hasnain S S, Saile V and Koch E E 1980 Int. Conf. on Vacuum Ultraviolet Radiation Physics (University of Virginia) vol 2 p 80
9. Philis J, Bolovinos A, Andritsopoulos G, Pantos E and Tsekeris P 1981 J. Phys. B: At. Mol. Phys. 14 3621
10. Motch C, Giuliani A, Delwiche J, Lim?ao-Vieira P, Mason N J, Hoffman S V and Hubin-Franskin M-J 2006 Chem. Phys. 328 183
11. Hitchcock A P, Fischer P, Gedanken A and Robin M B 1987 J. Phys. Chem. 91 531
12. Frueholz R P, Flicher W M, Mosher O A and Kuppermann A 1979 J. Chem. Phys. 70 3057
13. Brundle C R, Robin M B and Kuebler N A 1972 J. Am. Chem. Soc. 94 1466
14. Turner D W, Baker C, Baker A D and Brundle C R 1970 Molecular Photoelectron Spectroscopy (London: Wiley-Interscience
15. Potts A W, Price W C, Streets D G and Williams T A 1972 Faraday Discuss. Chem. Soc. 54 168
16. Clark I D and Frost D C 1967 J. Am. Chem. Soc. 89 244
17. Kobayashi T and Nagakura S 1975 J. Electron Spectrosc. Relat. Phenom. 7 187
18. Sell J A, Mintz D M and Kuppermann A 1978 Chem. Phys. Lett. 58 601
19. Kobayashi T 1978 Phys. Lett. A 69 105
20. Bastide J, Hall D, Heilbronner E, Maier J P and Plevey R G 1979 J. Electron Spectrosc. Relat. Phenom. 16 205
21. Maier J P and Thommen F 1981 Chem. Phys. 57 319
22. Brundle C R, Robin M B, Kuebler N A and Basch H 1972 J. Am. Chem. Soc. 94 1451
23. Dujardin G, Leach S, Dutuit O, Govers T and Guyon P M 1983 J. Chem. Phys. 79 644
24. Das A, Poliakoff E D, Lucchese R R and Bozek J D 2006 J. Chem. Phys. 125 164316
25. Kwon C H and Kim M S 2004 J. Chem. Phys. 120 11578
26. Cossart-Magos C, Cassart D and Leach S 1979 Mol. Phys. 37 793
27. Bondybey V E and Miller T A 1980 J. Chem. Phys. 73 3053
28. Sears T, Miller T A and Bondybey V E 1981 J. Am. Chem. Soc. 103 326
29. Cheng B-M 1996 J. Phys. Chem. 100 8200
30. Holland D M P, Shaw D A, Walker I C, McEwen I J and Guest M F 2008 Chem. Phys. 344 227
31. Shaw D A, Holland Shaw, DA Holland D,M,P, Mac Donald MA,Hopkirk A,Hayes M.A., Sweeney S M 1992.Chem Phys.163, 387
32. Holland D M P, West J B, MacDowell A A, Munro I H and Beckett A G 1989 Nucl. Instrum. Methods B 44 233
33. Holland D M P et al 2001 Nucl. Instrum. Methods B 179 436
34. Casida M E 1995 Recent Advances in Density-Functional Methods ed D P Chong (Singapore: World Scientific) p 155
35. Van Gisbergen S J A, Snijders J G and Baesends E J 1999 Comput. Phys. Commun. 118 119
36. Stener M, Fronzoni G and Decleva P 2005 J. Chem. Phys. 122 234301
37. Van Leeuwen R and Baerends E J 1994 Phys. Rev. 49 2421
38. Van Gisbergen S J A, Osinga V P, Gritsenko O V, Van Leeuwen R, Snijders J G and Baerends E J 1996 J. Chem. Phys. 105 3142
39. Zgierski M Z, Fujiwara T and Lim E C 2005 J. Chem. Phys. 122 144312
40. Studzinski H, Zhang S, Wang Y and Temps F 2008 J. Chem. Phys. 128 164314
41. Rennie E E, Cooper L, Johnson C A F, Parker J E, Mackie R A, Shpinkova L G, Holland D M P, Shaw D A and Hayes M A 2001 Chem. Phys. 263 149
42. Boulanger A-M, Rennie E E, Holland D M P, Shaw D A and Mayer P M 2006 J. Phys. Chem. A 110 8563
43. Jahn H A and Teller E 1937 Proc. R. Soc. A 161 220
44. Lonquet-Higgins H C, Opik U, Pryce M H L and Sack R A 1958 Proc. R. Soc. A 244 1
45. Barckholtz T A and Miller T A 1998 Int. Rev. Phys. Chem. 17 435
46. Barckholtz T A and Miller T A 1999 J. Phys. Chem. A 103 2321
47. Mulliken R S 1955 J. Chem. Phys. 23 1997
48. Sears T J, Miller T A and Bondybey V E 1981 J. Chem. Phys. 74 3240
49. Applegate B E and Miller T A 2002 J. Chem. Phys. 117 10654
50. Braden D A and Hudson B S 2000 J. Phys. Chem. A 104 982
51. Herzberg G and Teller E 1933 Z. Phys. Chem. B 21 410
52. Hollas J M 1998 High Resolution Spectroscopy (Chichester: Wiley
53. Rathbone G J, Poliakoff E D, Bozek J D, Lucchese R R and Lin P 2004 J. Chem. Phys. 120 612
54. Rathbone G J, Poliakoff E D, Bozek J D and Lucchese R R 2005 J. Chem. Phys. 122 064308
55. Shaw D A, Holland D M P, Poole I B, Södergren S, Ö hrwall G, Karlsson L, Chau F T and Mok D K-W 2006 Chem. Phys. 324 515
56. Shaw D A and Holland D M P 2007 J. Phys. B: At. Mol. Opt. Phys. 40 4637
57. Rennie E E, Johnson C A F, Parker J E, Holland D M P, Shaw D A and Hayes M A 1998 Chem. Phys. 229 107
58. Pantos E, Philis J and Bolovinos A 1978 J. Mol. Spectrosc. 72 36
59. Wilkinson P G 1956 Can. J. Phys. 34 596
60. Johnson P M 1976 J. Chem. Phys. 64 4143
61. Snyder P A, Lund P A, Schatz P N and Rowe E M 1981 Chem. Phys. Lett. 82 546
62. Grubb S G, Otis C E, Whetten R L, Grant E R and Albrecht A C 1985 J. Chem. Phys. 82 1135
63. Robin M B 1985 Higher Excited States of Polyatomic Molecules vol III (Orlando, FL: Academic
64. Wilden D G and Comer J 1980 J. Phys. B: At. Mol. Phys. 13 627