Covalency in the uranyl ion: A polarized x-ray spectroscopic study

Journal of Chemical Physics

Volumn 117, Issue 17, 2002, Pages 8008-8020

  Denning, R G ^a   Green, J C ^a   Hutchings, T E ^a   Dallera, C ^b   Tagliaferri, A ^c   Giarda, K ^b   Brookes, N B ^c   Braicovich, L ^b  

^a Inorganic Chemistry   (United Kingdom)

^b POLITECNICO DI MILANO   (Italy)

^c EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CESIUM COMPOUNDS; CHARGE TRANSFER; EMISSION SPECTROSCOPY; POLARIZATION; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; X RAY ANALYSIS;

X-RAY ABSORPTION SPECTROSCOPY (XAS);

SINGLE CRYSTALS;

EID: 0036850745     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1510445     Document Type: Article

References (61)

1. R.G. Denning, Struct. Bonding (Berlin) 79, 215 (1992).
2. S. Matsika, R.M. Pitzer, and D.T. Reed, J. Phys. Chem. A 104, 11 983 (2000); S. Matsika and R.M. Pitzer, ibid. 104, 4064 (2000); S. Matsika, Z. Zhang, S.R. Brozell, J.P. Bandeau, Q. Wang, and R.M. Pitzer, ibid. 105, 3825 (2001); Q. Wang and R.M. Pitzer, ibid. 105, 8370 (2001).
3. S. Matsika, R.M. Pitzer, and D.T. Reed, J. Phys. Chem. A 104, 11 983 (2000); S. Matsika and R.M. Pitzer, ibid. 104, 4064 (2000); S. Matsika, Z. Zhang, S.R. Brozell, J.P. Bandeau, Q. Wang, and R.M. Pitzer, ibid. 105, 3825 (2001); Q. Wang and R.M. Pitzer, ibid. 105, 8370 (2001).
4. S. Matsika, R.M. Pitzer, and D.T. Reed, J. Phys. Chem. A 104, 11 983 (2000); S. Matsika and R.M. Pitzer, ibid. 104, 4064 (2000); S. Matsika, Z. Zhang, S.R. Brozell, J.P. Bandeau, Q. Wang, and R.M. Pitzer, ibid. 105, 3825 (2001); Q. Wang and R.M. Pitzer, ibid. 105, 8370 (2001).
5. S. Matsika, R.M. Pitzer, and D.T. Reed, J. Phys. Chem. A 104, 11 983 (2000); S. Matsika and R.M. Pitzer, ibid. 104, 4064 (2000); S. Matsika, Z. Zhang, S.R. Brozell, J.P. Bandeau, Q. Wang, and R.M. Pitzer, ibid. 105, 3825 (2001); Q. Wang and R.M. Pitzer, ibid. 105, 8370 (2001).
6. S. Matsika and R.M. Pitzer, J. Phys. Chem. A 105, 637 (2001).
7. Z.Y. Zhang and R.M. Pitzer, J. Phys. Chem. A 103, 6880 (1999).
8. R.G. Denning, J.O.W. Norris, and D. Brown, Mol. Phys. 46, 287 (1982).
9. R.G. Denning, J.O.W. Norris, and D. Brown, Mol. Phys. 46, 325 (1982).
10. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 30, 1819 (1975); R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1109 (1979); R.G. Denning, D.N.P. Foster, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1089 (1979); R.G. Denning, I.G. Short, and D.R. Woodwark, ibid. 39, 1281 (1980); T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 31, 1344 (1992).
11. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 30, 1819 (1975); R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1109 (1979); R.G. Denning, D.N.P. Foster, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1089 (1979); R.G. Denning, I.G. Short, and D.R. Woodwark, ibid. 39, 1281 (1980); T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 31, 1344 (1992).
12. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 30, 1819 (1975); R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1109 (1979); R.G. Denning, D.N.P. Foster, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1089 (1979); R.G. Denning, I.G. Short, and D.R. Woodwark, ibid. 39, 1281 (1980); T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 31, 1344 (1992).
13. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 30, 1819 (1975); R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1109 (1979); R.G. Denning, D.N.P. Foster, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1089 (1979); R.G. Denning, I.G. Short, and D.R. Woodwark, ibid. 39, 1281 (1980); T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 31, 1344 (1992).
14. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 30, 1819 (1975); R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1109 (1979); R.G. Denning, D.N.P. Foster, T.R. Snellgrove, and D.R. Woodwark, ibid. 37, 1089 (1979); R.G. Denning, I.G. Short, and D.R. Woodwark, ibid. 39, 1281 (1980); T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 31, 1344 (1992).
15. R.G. Denning, T.R. Snellgrove, and D.R. Woodwark, Mol. Phys. 32, 419 (1976).
16. T.J. Barker, R.G. Denning, and J.R.G. Thorne, Inorg. Chem. 26, 1721 (1987).
17. R.G. Denning and I.D. Morrison, Chem. Phys. Lett. 180, 101 (1991).
18. Y.A. Teterin, A.S. Baev, L.G. Mashirov, and D.N. Suglobov, Dokl. Akad. Nauk SSSR 277, 131 (1984).
19. B.W. Veal, D.J. Lam, W.T. Carnall, and H.R. Hoekstra, Phys. Rev. B 12, 5651 (1975).
20. E.Z. Kurmaev, S. Stadler, D.L. Ederer, Y. Harada, S. Shin, M.M. Grush, T.A. Callcott, R.C.C. Perera, D.A. Zatsepin, N. Ovechkina, M. Kasai, Y. Tokura, T. Takahashi, K. Chandrasekaran, R. Vijayaraghavan, and U.V. Varadaraju, Phys. Rev. B 57, 1558 (1998); J. van Elp and A. Tanaka, ibid. 60, 5331 (1999); J.H. Guo, S.M. Butorin, N. Wassdahl, J. Nordgren, P. Berastegut, and L.G. Johansson, ibid. 61, 9140 (2000); V.R. Galakhov, L.D. Finkelstein, D.A. Zatsepin, E.Z. Kurmaev, A.A. Samokhvalov, S.V. Naumoy, G.K. Tatarinova, M. Demeter, S. Bartkowski, M. Neumann, and A. Moewes, ibid. 62, 4922 (2000).
21. E.Z. Kurmaev, S. Stadler, D.L. Ederer, Y. Harada, S. Shin, M.M. Grush, T.A. Callcott, R.C.C. Perera, D.A. Zatsepin, N. Ovechkina, M. Kasai, Y. Tokura, T. Takahashi, K. Chandrasekaran, R. Vijayaraghavan, and U.V. Varadaraju, Phys. Rev. B 57, 1558 (1998); J. van Elp and A. Tanaka, ibid. 60, 5331 (1999); J.H. Guo, S.M. Butorin, N. Wassdahl, J. Nordgren, P. Berastegut, and L.G. Johansson, ibid. 61, 9140 (2000); V.R. Galakhov, L.D. Finkelstein, D.A. Zatsepin, E.Z. Kurmaev, A.A. Samokhvalov, S.V. Naumoy, G.K. Tatarinova, M. Demeter, S. Bartkowski, M. Neumann, and A. Moewes, ibid. 62, 4922 (2000).
22. E.Z. Kurmaev, S. Stadler, D.L. Ederer, Y. Harada, S. Shin, M.M. Grush, T.A. Callcott, R.C.C. Perera, D.A. Zatsepin, N. Ovechkina, M. Kasai, Y. Tokura, T. Takahashi, K. Chandrasekaran, R. Vijayaraghavan, and U.V. Varadaraju, Phys. Rev. B 57, 1558 (1998); J. van Elp and A. Tanaka, ibid. 60, 5331 (1999); J.H. Guo, S.M. Butorin, N. Wassdahl, J. Nordgren, P. Berastegut, and L.G. Johansson, ibid. 61, 9140 (2000); V.R. Galakhov, L.D. Finkelstein, D.A. Zatsepin, E.Z. Kurmaev, A.A. Samokhvalov, S.V. Naumoy, G.K. Tatarinova, M. Demeter, S. Bartkowski, M. Neumann, and A. Moewes, ibid. 62, 4922 (2000).
23. E.Z. Kurmaev, S. Stadler, D.L. Ederer, Y. Harada, S. Shin, M.M. Grush, T.A. Callcott, R.C.C. Perera, D.A. Zatsepin, N. Ovechkina, M. Kasai, Y. Tokura, T. Takahashi, K. Chandrasekaran, R. Vijayaraghavan, and U.V. Varadaraju, Phys. Rev. B 57, 1558 (1998); J. van Elp and A. Tanaka, ibid. 60, 5331 (1999); J.H. Guo, S.M. Butorin, N. Wassdahl, J. Nordgren, P. Berastegut, and L.G. Johansson, ibid. 61, 9140 (2000); V.R. Galakhov, L.D. Finkelstein, D.A. Zatsepin, E.Z. Kurmaev, A.A. Samokhvalov, S.V. Naumoy, G.K. Tatarinova, M. Demeter, S. Bartkowski, M. Neumann, and A. Moewes, ibid. 62, 4922 (2000).
24. F. Jollet, T. Petit, S. Gota, N. Thromat, M. Gautier-Soyer, and A. Pasturel, J. Phys.: Condens. Matter 9, 9393 (1997).
25. D.H. Templeton and L.K. Templeton, Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr. 38, 62 (1982).
26. E.A. Hudson, P.G. Allen, L.J. Terminello, M.A. Denecke, and T. Reich, Phys. Rev. B 54, 156 (1996).
27. D.J. Watkin, R.G. Denning, and K. Prout, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 47, 2517 (1991).
28. J. Goulon, N.B. Brookes, C. Gautheir, J.B. Goedkoop, C. Goulon-Ginet, M. Hagelstein, and A. Rogalev, Physica B 208-209, 199 (1995).
29. P. Elleaume, J. Synchrotron Radiat. 1, 19 (1994).
30. J. Chavanne, P. Van Vaerenbergh, P. Elleaume, and T. Gunzel, presented at the EPAC 2000, Vienna, 2000 (unpublished).
31. M. Drescher, G. Snell, U. Kleineberg, H.J. Stock, N. Muller, U. Heinzmann, and N.B. Brookes, Rev. Sci. Instrum. 68, 1939 (1997).
32. C. Dallera, E. Puppin, G. Trezzi, N. Incorvaia, A. Fasana, L. Braicovich, N.B. Brookes, and J.B. Goedkoop, J. Synchrotron Radiat. 3, 231 (1996).
33. G. Ghiringhelli, A. Tagliaferri, L. Braicovich, and N.B. Brookes, Rev. Sci. Instrum. 69(4), 1610 (1998).
34. W.J. Veigele, At. Data 5, 51 (1973).
35. E.J. Baerends, ADF Program System, 2000.02, Vrije Universiteit, Amsterdam, 2000.
36. E.J. Baerends, E.G. Ellis, and P. Ros, Chem. Phys. 2, 41 (1973); B. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992).
37. E.J. Baerends, E.G. Ellis, and P. Ros, Chem. Phys. 2, 41 (1973); B. te Velde and E.J. Baerends, J. Comput. Phys. 99, 84 (1992).
38. E. van Lenthe, R. van Leeuwen, E.J. Baerends, and J.G. Snidgers, Int. J. Quantum Chem. 57, 281 (1996); E. van Lenthe, J.G. Snidgers, and E.J. Baerends, J. Chem. Phys. 105, 6505 (1996).
39. E. van Lenthe, R. van Leeuwen, E.J. Baerends, and J.G. Snidgers, Int. J. Quantum Chem. 57, 281 (1996); E. van Lenthe, J.G. Snidgers, and E.J. Baerends, J. Chem. Phys. 105, 6505 (1996).
40. S.H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
41. A.D. Becke, Phys. Rev. A 38, 3098 (1988).
42. J.P. Perdew, Phys. Rev. B 33, 8822 (1986).
43. P.H. Citrin and T.D. Thomas, J. Chem. Phys. 57, 4446 (1972).
44. I. Fragala, G. Condorelli, A. Tondello, and A. Cassol, Inorg. Chem. 17, 3175 (1978).
45. L. Noodleman, D. Post, and E.J. Baerends, Chem. Phys. 64, 159 (1982).
46. J.P. Desclaux, At. Nucl. Struct. Tab. 12, 311 (1973).
47. P.J. Hay, W.R. Wadt, L.R. Kahn, R.C. Raffenetti, and D.H. Phillips, J. Chem. Phys. 71, 1767 (1979).
48. O. Bjorneholm, M. Bassler, A. Ausmees, I. Hjelte, R. Feifel, H. Wang, C. Miron, M.N. Piancastelli, S. Svensson, S.L. Sorensen, F. Gel'mukhanov, and H. Agren, Phys. Rev. Lett. 84, 2826 (2000).
49. B. Henderson and G.F. Imbusch, Optical Spectroscopy of Inorganic Solids (Oxford University Press, Oxford, 1989).
50. R.E. Rundle, N.C. Baenziger, A.S. Wilson, and R.A. McDonald, J. Am. Chem. Soc. 70, 99 (1948); E. Slowinski and N. Elliott, Acta Crystallogr. 5, 768 (1952).
51. R.E. Rundle, N.C. Baenziger, A.S. Wilson, and R.A. McDonald, J. Am. Chem. Soc. 70, 99 (1948); E. Slowinski and N. Elliott, Acta Crystallogr. 5, 768 (1952).
52. R.G. Denning, C.N. Ironside, J.R.G. Thorne, and D.R. Woodwark, Mol. Phys. 44, 209 (1981).
53. S.T. Manson and J.W. Cooper, Phys. Rev. 165, 126 (1968); J.G. Brennan, J.C. Green, and C.M. Redfern, J. Am. Chem. Soc. 111, 2373 (1989).
54. S.T. Manson and J.W. Cooper, Phys. Rev. 165, 126 (1968); J.G. Brennan, J.C. Green, and C.M. Redfern, J. Am. Chem. Soc. 111, 2373 (1989).
55. R. Tyagi and R.M. Pitzer (private communication).
56. J. Nordgren, P. Glans, K. Gunnelin, J.H. Guo, P. Skytt, C. Sathe, and N. Wassdahl, Appl. Phys. A: Mater. Sci. Process. 65, 97 (1997).
57. A. Cesar, F. Gel'mukhanov, Y. Luo, H. Agren, P. Skytt, P. Glans, J.H. Guo, K. Gunnelin, and J. Nordgren, J. Chem. Phys. 106, 3439 (1997).
58. J.B. Newman, J. Chem. Phys. 43, 1691 (1965); R.L. Belford and G. Belford, ibid. 34, 1330 (1961).
59. J.B. Newman, J. Chem. Phys. 43, 1691 (1965); R.L. Belford and G. Belford, ibid. 34, 1330 (1961).
60. N. Kaltsoyannis, Inorg. Chem. 39, 6009 (2000).
61. K. Tatsumi and R. Hofmann, Inorg. Chem. 19, 2656 (1980).