A study of the transition metal tetrafluorides (TiF4, ZrF4, HfF4) using high temperature ultraviolet photoelectron spectroscopy

Journal of Electron Spectroscopy and Related Phenomena

Volumn 85, Issue 1-2, 1997, Pages 23-33

  Dyke, J M ^a   Haggerston, D ^a   Wright, A E ^a   Morris, A ^a   Van Lenthe, E ^b   Snijders, J C ^b  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Electronic structure and bonding; High temperature science; Molecular orbital calculations; Transition metal tetrafluorides; Ultraviolet photoelectron spectroscopy

Indexed keywords

EID: 0346616880     PISSN: 03682048     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0368-2048(96)03084-8     Document Type: Article

References (47)

1. J.G. Green, M.L.H. Green, P.J. Joachim, A.F. Orchard and D.W. Turner, Phil. Trans. Roy. Soc. London A268 (1970) 111.
2. P. Burroughs, S. Evans, A. Hamnett, A.F. Orchard and N.V. Richardson, J. Chem. Soc., Faraday Trans. 270 (1974) 1895.
3. P.A. Cox, S. Evans, A. Hamnett and A.F. Orchard, Chem. Phys. Lett. 7 (1970) 414.
4. R.G. Egdell, A.F. Orchard, D.R. Lloyd and N.V. Richardson, J. Elec. Spec. Rel. Phen. 12 (1977) 415.
5. R.G. Edgell and A.F. Orchard, J. Chem. Soc., Faraday Trans. 274 (1978) 485.
6. G.M. Bancroft, E. Pellach and J.S. Tse, Inorg. Chem. 21 (1982) 2950.
7. B.E. Bursten, J.G. Green, N. Kaltsoyannis, M.A. MacDonald, K.H. Sze and J.S. Tse, Inorg. Chem. 33 (1994) 5086.
8. D.E. Onopko and S.A. Titov, Opt. Spectrosc. 51 (1981) 545.
9. A.E. Foti, V.H. Smith and M.A. Whitehead, Mol. Phys. 45 (1982) 385.
10. A.A. Hasanein and M.S. Makhyoun, Curr. Sci. 55 (1986) 887.
11. W. von Niessen, Inorg. Chem. 26 (1987) 567.
12. H. Nakatsuji, M. Ehara, M.H. Palmer and M.F. Guest, J. Chem. Phys. 97 (1992) 2561.
13. P. Decleva, G. Fronzoni, A. Lisini and M. Stener, Chem. Phys. 186 (1994) 1.
14. M. Ohno and W. von Niessen, Phys. Rev. A51 (1995) 1052.
15. E. Murad and D.L. Hildenbrand, J. Chem. Phys. 45 (1966) 4751.
16. R.J.M. Konings and D.L. Hildenbrand, J. Chem. Thermodyn. 26 (1994) 155.
17. V.N. Bukhmarina, S.L. Dobychin, Y.B. Predtchenski and V.G. Shklyarik, Russ. J. Phys. Chem. 60 (1986) 1062.
18. G.I. Girichev, N.I. Giricheva and T.N. Malysheva, Zh. Fiz. Khim. 56 (1982) 1833.
19. J.M. Dyke, N. Jonathan, A. Morris, in: G.R. Brundle, A.D. Baker (Eds.), Electron Spectroscopy, Vol. 3, p. 189, Academic Press, New York, 1979.
20. J.M. Dyke, N. Jonathan and A. Morris, Int. Rev. Phys. Chem. 2 (1982) 3.
21. D. Bulgin, J.M. Dyke, F. Goodfellow, E. Jonathan, A. Lee and A. Morris, J. Elec. Spec. Rel. Phen. 12 (1977) 67.
22. D.W. Turner, C. Baker, A.D. Baker, C.R. Brundle, Molecular Photoelectron Spectroscopy, Wiley Interscience, New York, 1970.
23. ADF User's Guide, Version 1.02, Department of Theoretical Chemistry, Free University, Amsterdam, 1992.
24. J.G. Snijders, E.J. Baerends and P. Ros, Mol. Phys. 38 (1979) 1909.
25. E.J. Baerends, J.G. Snijders, C.A. de Lange, G. Jonkers in: J.P. Dahl, J. Avery (Eds.), Local Density Approximations in Quantum Chemistry and Solid State Physics, Plenum, New York, 1984, p. 415.
26. G.V. Girichev, V.M. Petrov, N.I. Giricheva and K.S. Karsnov, Zh. Strukt. Khim. 23 (1982) 56.
27. D.M. Hood, R.M. Pitzer and H.F. Schaefer III, J. Chem. Phys. 71 (1979) 705.
28. B. Roos, A. Veillard and G. Vinot, Theor. Chim. Acta 20 (1971) 1.
29. T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
30. P.J. Hay, J. Chem. Phys. 66 (1977) 4377.
31. S. Huzinaga, J. Chem. Phys. 42 (1965) 1293.
32. T.H. Dunning, P.J. Hay, in: H.F. Schaefer III (Ed.) Methods of Electronic Structure Theory, Plenum Press, New York, 1977.
33. R.D. Amos, J.E. Rice, CADPAC: The Cambridge Analytic Derivatives Package, Issue 5.0, Cambridg, 1992.
34. M.F. Guest, GAMESS User's Guide and Reference Manual, SERC Daresbury Laboratory, 1989.
35. T. Koopmans, Physica 1 (1934) 104.
36. S.R. Langhoff and E.R. Davidson, Int. J. Quant. Chem. 8 (1974) 61.
37. I. Yeh and I. Lindau, At. Data Nucl. Data Tables 32 (1985) 1.
38. E.P.F. Lee, D. Law and A.W. Potts, J. Chem. Soc., Far. Trans. 276 (1980) 1314.
39. E.P.F. Lee and A.W. Potts, Chem. Phys. Lett. 76 (1981) 532.
40. J.M. Dyke, N.K. Fayad, G.D. Josland and A. Morris, J. Chem. Soc., Far. Trans. II 76 (1980) 1672.
41. W.C. Price, A.W. Potts, D.G. Streets, in: D.A. Shirley (Ed.), Electron Spectroscopy, North-Holland, Amsterdam, 1971, p. 187.
42. C.E. Moore, Atomic Energy Levels, NBS Circular No. 467, Washington D.C., Vols. I, 1949, II, 1952, III, 1958.
43. C.E. Moore, Atomic Energy Levels, NBS Circular No. 467, Washington D.C., Vols. I, 1949, II, 1952, III, 1958.
44. C.E. Moore, Atomic Energy Levels, NBS Circular No. 467, Washington D.C., Vols. I, 1949, II, 1952, III, 1958.
45. R.C. Weast (Ed.), Handbook of Chemistry and Physics, 57th edn., CRC Press, Cleveland, 1976.
46. P.M. Boerrigter, J.G. Snijders and J.M. Dyke, J. Elec. Spec. Rel. Phen. 46 (1988) 43.
47. J.P. Desclaux, At. Data Nucl. Data Tables 12 (1973) 311.