X-ray absorption and emission spectroscopy of CrIII (Hydr)Oxides: Analysis of the K-pre-edge region

Journal of Physical Chemistry A

Volumn 113, Issue 44, 2009, Pages 12171-12178

  Frommer, Jakob ^a   Nachtegaal, Maarten ^b   Czekaj, Izabela ^b   Weng, Tsu Chien ^c   Kretzschmar, Ruben ^a  

^a ETH ZURICH   (Switzerland)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

^c EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPLIED RESEARCH; CHEMICAL SENSITIVITY; EDGE ANALYSIS; EDGE REGION; EXPERIMENTAL DATA; FINE STRUCTURES; FLUORESCENCE DETECTED X-RAY ABSORPTION; HIGH ENERGY; LOCAL COORDINATION; METAL TYPES; METAL-METAL TRANSITIONS; NEW OPPORTUNITIES; NON-LOCALIZED; OXYHYDROXIDES; PRE-EDGE FEATURES; RESONANT X-RAY EMISSION SPECTROSCOPIES; SPECTRAL FEATURE; TRIVALENT CHROMIUM; X-RAY ABSORPTION AND EMISSION SPECTROSCOPY;

ABSORPTION; CHROMIUM; CRYSTAL STRUCTURE; EMISSION SPECTROSCOPY; METAL ANALYSIS; SPECTRUM ANALYSIS; STRUCTURAL METALS; TRANSITION METALS; X RAY ABSORPTION; X RAY ANALYSIS;

ABSORPTION SPECTROSCOPY;

CATION; CHROMIUM; IRON; OXIDE;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; SPECTROMETRY; X RAY ABSORPTION SPECTROSCOPY;

ABSORPTION; CATIONS; CHROMIUM; IRON; MOLECULAR STRUCTURE; OXIDES; SPECTROMETRY, X-RAY EMISSION; X-RAY ABSORPTION SPECTROSCOPY;

EID: 73949102083     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp902604p     Document Type: Article

References (60)

1. de Groot, F.; Kotani, A. Core Level Spectroscopy of Solids; CRC Press, 2008.
2. Safonov, V. A.; Vykhodtseva, L. N.; Polukarov, Y. M.; Safonova, O. V.; Smolentsev, G.; Sikora, M.; Eeckhout, S. G.; Glatzel, P. .J. Phys. Chem. B 2006, 110, 23192.
3. de Groot, F. Coord. Chem. Rev. 2005, 249, 31.
4. Glatzel, P.; Mirone, A.; Eeckhout, S. G.; Sikora, M.; Giuli, G. Phys. Rev. B 2008, 77, 115133.
5. Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D. Chem.Phys. 2004, 300, 13.
6. Wilke, M.; Farges, F.; Petit, P. E.; Brown, G. E.; Martin, F. Am. Mineral. 2001, 86, 714.
7. Farges, F. Phys. Rev. B 2005, 71, 155109.
8. Chalmin, E.; Farges, F.; Brown, G. Contrib. Mineral. Petrol. 2009, 157, 111.
9. de Groot, F. M. F. 13th International Conference on X-Ray Absorption Fine Structure (XAFS13) 2007, 37.
10. Wu, Z. Y.; Xian, D. C.; Hu, T. D.; Xie, Y. N.; Tao, Y.; Natoli, C. R.; Paris, E.; Marcelli, A. Phys. Rev. B 2004, 70, 033104.
11. Juhin, A.; Calas, G.; Cabaret, D.; Galoisy, L.; Hazemann, J. L. Am. Mineral. 2008, 93, 800.
12. Gilbert, B.; Frazer, B. H.; Belz, A.; Conrad, P. G.; Nealson, K. H.; Haskel, D.; Lang, J. C.; Srajer, G.; De Stasio, G. J. Phys. Chem. A 2003, 107, 2839.
13. Glatzed, P.; Bergmann, U. Coord. Chem. Rev. 2005, 249, 65.
14. van Bokhoven, J. A.; Louis, C.; T; Miller, J.; Tromp, M.; Safonova, O. V.; Glatzel, P. Angew. Chem., Int. Ed. 2006, 45, 4651.
15. Radu, D.; Glatzel, P.; Gloter, A.; Stephan, O.; Weckhuysen, B. M.; de Groot, F. M. F. J.Phy. Chem. C 2008, 112, 12409.
16. Kotani, A.; Shin, S. Rev Mod. Phys. 2001, 73, 203.
17. Westre, T. E.; Kennepohl, P.; DeWitt, J. G.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1997, 119, 6297.
18. Rehr, J. J.; Albers, R. C. Rev. Mod. Phys 2000, 72, 621.
19. Ankudinov, A. L.; Ravel, B.; Rehr, J. J.; Conradson, S. D. Phys. Rev. B 1998, 58, 7565.
20. de Groot, F. M. F.; Glatzel, P.; Bergmann, U.; van Aken, P. A.; Barrea, R. A.; Klemme, S.; Hävecker, M.; Knop-Gericke, A.; Heijboer, W. M.; Weckhuysen, B. M. J. Phys, Chem. 2005, 109, 20751.
21. Vankó, G.; de Groot, F.; Huotari, S.; Cava, R.; Lorenz, T.; Reuther, M, Intersite 4p-3d hybridization in cobalt oxides: a resonant x-ray emission spectroscopy study, 2008, submitted, http://arxiv.org/abs/0802.2744
22. Katz, S. A.; Salem, H. The Biological and Environmental Chemistry of Chromium; Wiley-VCH, 1994.
23. Kimbrough, D. E.; Cohen, Y.; Winer, A. M.; Creelman, L.; Mabuni, C. Crit. Rev. Environ. SCi. Technol. 1999, 29, 1.
24. Peterson, M. L.; Brown, G. E.; Parks, G. A.; Stein, C. L. Geochim. Cosmochim. Acta 1997, 61, 3399.
25. Huggins, F. E.; Najih, M.; Huffman, G. P. Fuel 1999, 78, 233.
26. Fandeur, D.; Juillet, F.; Marin, G.; Olivi, L. Cognigni, A.; Ambrosi, J. P.; Guyot, F.; Fritsch, E. Am, Mineral.2009, 94, 710.
27. Meijer, G. I.; Staub, U.; Janousch, M.; Johnson, S. L.; Delley, B.; Neisius, T. Phys. Rev. B 2005, 72, 155102.
28. Manceau, A.; Schlegel, M. L.; Musso, M.; Sole, V. A.; Gauthier, C; Petit, P. E.; Trolard, F. Geochim. Cosmochim. Acta 2000, 64, 3643.
29. Giovanoli, R.; Stadelmann, W.; Feitknecht, W. Helv. Chim. Acta 1973, 56, 839.
30. Christensen, A. N.; Hansen, P.; Lehmann, M. S. J. Solid State Chem. 1977, 21, 325.
31. Sileo, E. E.; Ramos, A. Y.; Magaz, G. E.; Blesa, M. A. Geochim. Cosmochim. Acta 2004, 68, 3053.
32. Schwertmann, U.; Gasser, U.; Sticher, H. Geochim. Cosmochim. Acta 1989, 53, 1293.
33. Schwertmann, U.; Cambier, P.; Murad, E. Clays Clay Min. 1985, 33, 369.
34. Ravel, B.; Newville, M. J. Svnchrot. Radiat. 2005, 12, 537.
35. Kelly, S. D.; Hesterberg, D.; Ravel, B. Analysis of Soils and Minerals Using X-ray Absorption Spectroscopy. In Methods of Soil Analysis Part 5 - Mineralogical Methods; Ulery, A. L., Drees, R., Eds.; Soil Science Society of America, 2008; pp 387.
36. Manceau, A., M.A. Marcus, N. Tamura Quantitative speciation of heavy metals in sou's and sediments by synchrotron X-ray techniques. In Applications of synchrotron radiation in low-temperature geochemistry and environmental sciences; Fenter P., Rivers M., Sturchio N., Sutton S., Ed.; Mineralogical Society of America, 2002; Vol.49, pp 341.
37. Haskel, D. 1999. FLUO algorithm, http://www.aps.anl.gov/xfd/ people/haskel/fiuo.html.
38. de Groot, F. M. F. 2008. CTM4XAS program. http://www. anorg.chem.uu.nl/people/staff/FrankdeGroot/multipletl.htm.
39. Burns, R. G. Mineraloeical applications of crystal field theory. 2nd ed.; Cambridge University Press, 1993.
40. Gaudry, E.; Sainctavit, P.; Juillot, F.; Bondioli, F.; Ohresser, P.; Letard, I. Phys. Chem. Miner. 2006, 32, 710.
41. Theil, C.; van Elp, J.; Folkmann, F. Phys. Rev. B 1999, 59, 7931.
42. StoBe-deMon version 2.2 (2006). Hermann, K.; Pettersson, L. G. M.; Casida, M. E.; Daul, C.; Goursot, A.; Koester, A.; Proynov, E.; St-Amant, A.; Salahub, D. R.; Carravetta, V.; Duarte, H.; Friedrich, C.; Godbout, N.; Guan, J.; Jamorski, C.; Leboeuf, M.; Leetmaa, M.; Nyberg, M.; Patchk-ovskii, S.; Pedocchi, L.; Sim, F.; Triguero, L.; Vela, A.
43. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
44. Hammer, B.; Hansen, L. B.; Norskov, J. K. Phys. Rev. B 1999, 59, 7413.
45. Yang, H. X.; Lu, R.; Downs, R. T.; Costin, G. Acta Cryst E 2006, 62,1250.
46. Modrow, H.; Bucher, S.; Rehr, J. J.; Ankudinov, A. L. Phys. Rev. B 2003, 67, 035123.
47. Waychunas, G. A.; Fuller, C. C.; Davis, J. A.; Rehr, J. J. Geochim. Cosmochim, Acta 2003, 67, 1031.
48. Demmelmaier, C. A.; White, R. E.; van Bokhoven, J. A.; Scott, S. L. J. Phys. Chem. C 2008, 112, 6439.
49. Ankudinov, A. L.; Rehr, J. J.; Bare, S. R. Chem. Phys. Lett. 2000, 316, 495.
50. de Groot, F.; Vankó, G.; Glatzel, P. J. Phys.; Condens. Matter 2009, 21, 104207.
51. Juhin, A.; Brouder, C.; Arrio, M. A.; Cabaret, D.; Sainctavit, P.; Balan, E.; Bordage, A.; Seitsonen, A. P.; Calas, G.; Exckhout, S. G.; Glatzel, P. Phys. Rev. B 2008, 78, 195103.
52. Bianconi, A.; Fritsch, E.; Calas, G.; Petiau, J. Phys. Rev. B 1985, 32, 4292.
53. Shukla, A.; Calandra, M.; Taguchi, M.; Kotani, A.; Vankó, G.; Cheong, S. W. Phys. Rev, Lett. 2006, 96, 077006.
54. van Aken, P. A.; Liebscher, B.; Styrsa, V. J. Phys. Chem. Miner. 1998, 25, 494.
55. Wirth, R. Phys. Chem. Miner. 1997, 24, 561.
56. Sherman, D. M. Geochim, Cosmochim. Acta 2005, 69, 3249.
57. Chen, S. Y.; Gloter, A.; Zobelli, A.; Wang, L.; Chen, C. H.; Colliex, C. Phys. Rev. B 2009, 79.
58. de Groot, F. M. F.; Grioni, M.; Fuggle, J. C.; Ghijsen, J.; Sawatzky, G. A.; Petersen, H. Phys. Rev. B 1989, 40, 5715.
59. Doyle, C. S.; Kendelewicz, T.; Bostick, B. C.; Brown, G. E. Geochim. Cosmochim. Acta 2004, 68, 4287.
60. Flury, B.; Frommer, J.; Eggenberger, U.; Mäder, U.; Nachtegaal, M.; Kretzschmar, R. Environ. Sci. Technol. 2009, 43, 6786.