A transition in the Ni2+ complex structure from six-to four-coordinate upon formation of ion pair species in supercritical water: An X-ray absorption fine structure, near-infrared, and molecular dynamics study

Journal of Physical Chemistry A

Volumn 103, Issue 42, 1999, Pages 8471-8482

  Hoffmann, Markus M ^a   Darab, John G ^a   Palmer, Bruce J ^a   Fulton, John L ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000227703     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990435c     Document Type: Article

References (41)

1. Hoffmann, M. M.; Conradi, M. S. J. Am. Chem. Soc. 1997,119, 9, 3811-3817.
2. Chialvo, A. A.; Cummings, P. T.; Simonson, J. M.; Mesmer, R. E. J. Mol. Liq. 1997, 73, 74, 361-372.
3. Oelkers, E. H.; Helgeson, H. C. Science 1993, 261, 888-891.
4. Angell, C. A.; Gruen, D. M. J. Am. Chem. Soc. 1966, 88, 5192-5198.
5. Susak, N. J.; Crerar, D. A. Geochim. Cosmochim. Acta 1985, 49, 555-564.
6. Spohn, P. D.; Brill, T. B. J. Phys. Chem. 1989, 93, 6224-6231.
7. Lüdemann, H. D.; Franck, E. U. Ber. Bunsen-Ges. Phys. Chem. 1968, 72, 514-523.
8. Lüdemann, H. D.; Franck, E. U. Ber. Bunsen-Ges. Phys. Chem. 1967, 71, 455-460.
9. Pfund, D. M.; Darab, J. G.; Fulton, J. L.; Ma, Y. J. Phys. Chem. 1994, 98, 13102-13107.
10. Palmer, B. J.; Pfund, D. M.; Fulton, J. L. J. Phys. Chem. 1996, 100, 13393-13398.
11. Fulton, J. L.; Pfund, D. M.; Wallen, S. L.; Newville, M.; Stem, E. A.; Ma, Y. J. Chem. Phys. 1996, 105, 2161-2166.
12. Wallen, S. L.; Palmer, B. J.; Fulton, J. L. J. Chem. Phys. 1998, 108, 4039-4046.
13. Seward, T. M.; Henderson, C. M. B.; Chamock, J. M.; Dobson, B. R. Geochim. Cosmochim. Acta 1996, 60, 2273-2282.
14. Ragnarsdottir, K. V.; Oelkers, E. H.; Sherman, D. M.; Collins, C. R. Chem. Geol. 1998, 151, 29-39.
15. Wallen, S. L.; Palmer, B. J.; Pfund, D. M.; Fulton, J. L.; Newville, M.; Ma, Y.; Stern, E. A. J. Phys. Chem. A 1997, 101, 9632-9640.
16. Hoffmann, M. M.; Darab, J. G.; Heald, S. M.; Yonker, C. R.; Fulton, J. L. Chem. Geol. In press.
17. Baes, C. F.; Mesmer, R. E. The Hydrolysis of Cations; Krieger: Malabar, FL, 1976.
18. Teo, B. K. EXAFS: Basic Principles and Data Analysis; Springer-Verlag: New York, 1986.
19. Stern, E. A.; Heald, S. In Handbook of Synchrotron Radiation; Eastman, D. E.; Farge, Y.; Koch, E. E., Eds.; North-Holland: Amsterdam, 1983.
20. X-ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES; Koningsberger, D. C.; Prins, R., Eds.; John Wiley & Sons: New York, 1988.
21. Newville, M.; Livins, P.; Yacoby, Y.; Rehr, J. J.; Stem, E. A. Phys. Rev. B 1993, 47, 14126-14131.
22. Zabinsky, S. I.; Rehr, J. J.; Ankudinov, A.; Albers, R. C.; Eller, M. J. Phys. Rev. B. 1995, 52, 2995-3009.
23. O'Day, P. A.; Rehr, J. J.; Zabinsky, S. I.; Brown, G. E., Jr. J. Am. Chem. Soc. 1994, 116, 2938-2949.
24. Mustre de Leon, J.; Rehr, J. J.; Zabinsky, S. I. Phys. Rev. B 1991, 44, 4146-4156.
25. Rehr, J. J.; Mustre de Leon, J.; Zabinsky, S. L; Albers, R. C. J. Am. Chem. Soc. 1991, 113, 5135-5140.
26. Frenkel, A. I.; Stern, E. A.; Qian, M.; Newville, M. Phys. Rev. B 1993, 48, 12449-12458.
27. Newville, M.; Ravel, R.; Haskel, D.; Rehr, J. J.; Stern, E. A.; Yacoby, Y. Physica B 1995, 208 & 209, 154-156.
28. McEwen, R. S. J. Phys. Chem. 1971, 75, 1782.
29. Szytula, A.; Murasik, A.; Balanda, M. Phys. Stat. Sol. B 1971, 43, 125.
30. Abrahams, S. C.; Bernstein, J. L. Acta Crystallogr. 1977, B33, 3601-3604.
31. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
32. Dang, L. X. The parameters for bromine ion were supplied personally by Liem Dang, 1997.
33. Dang, L. X. J. Am. Chem. Soc. 1995, 117, 6954.
34. Alien, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, 1987.
35. Palmer, B. J.; Garrett, B. C. J. Chem. Phys. 1993, 98, 4047.
36. Dang, L. X.; Smith, D. E. J. Chem. Phys. 1995, 102, 3483.
37. Waychunas, G. A.; Brown, G. E. Phys. Chem. Miner. 1990, 17, 420-430.
38. Lever, A. B. P. Inorganic Electronic Spectroscopy, 2nd ed.; Elsevier: Amsterdam, 1984.
39. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemisty, 5th ed.; John Wiley and Sons: New York, 1988.
40. Galoisy, L.; Calas, G. Geochim. Cosmochim. Acta 1993, 57, 3613-3626.
41. Farges, F.; Brown, G. E. Chem. Geol. 1996, 128, 93-106.