Electronic and structural evolution of monoiron sulfur clusters, FeS n- and FeSn (n = 1-6), from anion photoelectron spectroscopy

Journal of Physical Chemistry A

Volumn 107, Issue 16, 2003, Pages 2821-2828

  Zhai, Hua Jin ^a,b   Kiran, Boggavarapu ^a,b   Wang, Lai Sheng ^a,b  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON AFFINITIES; EXCITED STATE; STRUCTURAL EVOLUTION; VIBRATIONAL TEMPERATURE;

COMPUTER SIMULATION; GROUND STATE; NEGATIVE IONS; PHOTOELECTRON SPECTROSCOPY; PHOTONS; PROBABILITY DENSITY FUNCTION;

IRON COMPOUNDS;

EID: 10644228643     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027867z     Document Type: Article

References (42)

1. Beinert, H ; Holm, R. H.; Munck, E. Science 1997, 277, 653.
2. Ogino, H.; Inomata, S.; Tobita, H. Chem. Rev. 1998, 98, 2093.
3. Harris, S. Polyhedron 1989, 8, 2843.
4. Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J.-M. Coord. Chem. Rev. 1995, 144, 199.
5. Mouesca, J.-M.; Lamotte, B. Coord. Chem. Rev. 1998, 178-180, 1573.
6. Wang, L. S.; Cheng, H. S.; Fan, J. J. J. Chem. Phys. 1995, 102, 9480. Wang, L. S.; Wu, H. In Advances in Metal and Semiconductor Clusters. IV. Cluster Materials; Duncan, M. A., Ed.; JAI Press: Greenwich, 1998; pp 299-343.
7. Wang, L. S.; Cheng, H. S.; Fan, J. J. J. Chem. Phys. 1995, 102, 9480. Wang, L. S.; Wu, H. In Advances in Metal and Semiconductor Clusters. IV. Cluster Materials; Duncan, M. A., Ed.; JAI Press: Greenwich, 1998; pp 299-343.
8. Wang, L. S.; Ding, C. F.; Wang, X B.; Barlow, S. E. Rev. Sci. Instrum. 1999, 70, 1957.
9. DeVore, T. C.; Franzen, H. F. High Temp. Sci. 1975, 7, 220.
10. Barsch, S., Kretzschmar, I.; Schroder, D.; Schwarz, H.; Armentrout, P. B. J. Phys. Chem. A 1999, 103, 5925.
11. Barsch, S.; Schroder, D.; Schwarz, H.; Armentrout, P B. J. Phys. Chem A 2001, 105, 2005.
12. Hettich, R. L.; Jackson, T. C.; Stanko, E. M.; Freiser, B. S. J. Am. Chem. Soc. 1986, 108, 5086.
13. Husband, J.; Aguirre, F.; Thompson, C. J.; Metz, R. B. Chem. Phys Lett. 2001, 342, 75.
14. Schroder, D.; Kretzschmar, I.; Schwarz, H.; Rue, C.; Armentrout, P. B. Inorg. Chem. 1999, 38, 3474.
15. Carlin, T. J.; Wise, M. B.; Freiser, B. S. Inorg. Chem. 1981, 20, 2743.
16. Dance, I.; Fisher, K., Willett, G. Angew. Chem., Int. Ed. Engl. 1995, 34, 201.
17. Dance, I.; Fisher, K.; Willett, G. Inorg. Chem. 1996, 35, 4177.
18. MacMahon, T. J.; Jackson, T. C.; Freiser, B. S. J. Am. Chem. Soc. 1989, 111, 421.
19. Yu, Z.; Zhang, N.; Wu, X.; Gao, Z.; Zhu, Q.; Kong, F.J. Chem. Phys. 1993, 99, 1765.
20. Nakat, J. E.; Fisher, K. J.; Dance, I. G.; Willett, G. D. Inorg. Chem. 1993, 32, 1931.
21. Zhang, N.; Hayase, T.; Kawamata, H.; Nakao, K.; Nakajima, A.; Kaya, K. J. Chem. Phys. 1996, 104, 3413. Nakajima, A.; Hayase, T.; Hayakawa, F.; Kaya, K. Chem. Phys. Lett. 1997, 280, 381.
22. Zhang, N.; Hayase, T.; Kawamata, H.; Nakao, K.; Nakajima, A.; Kaya, K. J. Chem. Phys. 1996, 104, 3413. Nakajima, A.; Hayase, T.; Hayakawa, F.; Kaya, K. Chem. Phys. Lett. 1997, 280, 381.
23. Anderson, A. B.; Hong, S. Y.; Smialek, J. L. J. Phys. Chem. 1987, 91, 4250.
24. Bauschlicher, Jr., C. W.; Maitre, P. Theor. Chim. Acta. 1995, 90, 189.
25. Bridgeman, A. J.; Rothery, J. J. Chem. Soc., Dalton Trans. 2000, 2, 211.
26. Glukhovtsev, M. N.; Bach, R. D.; Nagel, C. J. J. Phys. Chem. A 1997, 101, 316.
27. Hubner, O.; Termath, V.; Berning, A.; Sauer, J. Chem. Phys. Lett. 1998, 294, 37.
28. Hubner, O., Sauer, J. J. Chem. Phys. 2002, 116, 617.
29. Wang, L. S.; Niu, B.; Lee, Y. T.; Shirley, D. A.; Balasubramanian, K. J. Chem. Phys. 1990, 92, 899.
30. Akola, J.; Manninen, M.; Hakkmen, H.; Landman, U.; Li, X.; Wang, L. S. Phys. Rev. B 1999, 60, 11297.
31. Wang, L. S.; Li. X. Temperature Effects in Anion Photoelectron Spectroscopy of Metal Clusters. In Clusters and Nanostructure Interfaces; Jena, P.; Khanna, S. N.; Rao, B. K., Eds.; World Scientific: New Jersey, 2000; p 293.
32. Fan, J.; Wang, L. S. J. Chem. Phys. 1995, 102, 8714.
33. Wu, H.; Desai, S. R.; Wang, L. S. J. Am. Chem. Soc. 1996, 118, 5296, 7434.
34. Kiran, B.; Li, J ; Zhai, H. J.; Wang, L. S. Manuscript to be published.
35. Ziegler. T Chem. Rev. 1991, 91, 651.
36. ADF 2002, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands (http://www.scm.com). te Velde, G.; Bickelhaupt, F. M.; van Gisbergen, S. J. A ; Guerra, C. F.; Baerends, E. J.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
37. Guerra, C. F.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor Chem. Acc. 1998, 99, 391.
38. Perdew, J. P.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
39. Perdew, J. P., Chevary, J. A.; Vosko, S. H.; Jackson, K. A.. Pederson, M. R.; Singh, D. J.; Foilhais, C. Phys. Rev. B 1992, 46, 6671.
40. Dolg, M ; Wedig, U.; Stoll H ; Preuss, H. J. Chem. Phys. 1987, 86, 2123.
41. Krauss, M ; Stevens, W. J. J. Chem. Phys. 1985, 82, 5584.
42. Leopold, D. G.; Lineberger, W. C. J. Chem. Phys. 1986, 85, 51