c-C 5 H 5 on a Ni(1 1 1) surface: Theoretical study of the adsorption, electronic structure and bonding

Applied Surface Science

Volumn 254, Issue 18, 2008, Pages 5831-5836

  German E ^a   Simonetti, S ^a,b   Pronsato, E ^a   Juan, A ^a   Brizuela, G ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b UTN FRBB   (Argentina)

Author keywords

Chemisorption; Cyclopentadienyl; Molecular orbitals; Ni(1 1 1)

Indexed keywords

ADSORPTION; CHEMICAL BONDS; CHEMISORPTION; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

CYCLOPENTADIENYL; METAL SURFACE;

CRYSTAL STRUCTURE;

EID: 44349084115     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2008.03.061     Document Type: Article

References (43)

1. Gavin Jr. R.M., Reutt J., and Muetterties E.L. Proc. Natl. Acad. Sci. U.S.A. 78 (1981) 3961
2. In: Benárd J. (Ed). Adsorption on Metal Surface. An Integrated Approach. Studies in Surface Science and Catalysis vol. 13 (1983), Elsevier, Amsterdam
3. Satterfield C.N. Heterogeneous Catalysis in Industrial Practice (1996), Kwiger Publishing Company, Malabar
4. Weaver J.F., Carlsson A.F., and Madix R.J. Surf. Sci. Rep. 50 (2003) 107
5. Gault F.C. Adv. Catal. 5 (1966) 446
6. Brizuela G., and Castellani N.J. Surf. Sci. 401 (1998) 297
7. Gault F.C. Adv. Catal. 30 (1981) 1
8. Avery N.R. Surf. Sci. 146 (1984) 363
9. Avery N.R. Surf. Sci. 137 (1984) L109
10. Avery N.R. Surf. Sci. 163 (1985) 357
11. Avery N.R. J. Electron. Spectrosc. Relat. Phenom. 39 (1986) 1
12. Comelli N.C., López M.B., and Castro E.A. J. Mol. Struct. (THEOCHEM) 726 (2005) 197
13. Garfunkel E.L., Minot C., Gavezotti A., and Simonette M. Surf. Sci. 167 (1986) 177
14. Minot C., Van Hove M.A., and Somorjai G.A. Surf. Rev. Lett. 2 (1995) 285
15. Sautet P., and Bocquet M.L. Phys. Rev. B 53 (1996) 4910
16. Ohno M., and Von Niessen W. Surf. Sci. 388 (1997) 276
17. Mittendorfer F., and Hafner J. Surf. Sci. 472 (2001) 133
18. Brizuela G., and Castellani N.J. Surf. Sci. 411 (1998) 154
19. Brizuela G., and Castellani N.J. J. Mol. Catal. A: Chem. 139 (1999) 209
20. Brizuela G., Simonetti S., Pronsato E., and Juan A. Surf. Sci. 556 (2004) 11
21. Brizuela G., and Hoffmann R. J. Phys. Chem. A 102 (1998) 9618
22. Anderson A.B. J. Chem. Phys. 62 (1975) 1187
23. Hoffmann R., and Lipscomf W.N. J. Chem. Phys. 36 (1962) 2179
24. Hoffmann R. J. Chem. Phys. 39 (1963) 1397
25. Maruca R. Surf. Sci. 236 (1990) 210
26. Moutloali R.M., Bacsa J., Ddamba W.A., and Darkwa J. J. Organomet. Chem. 629 (2001) 171
27. Calhorda M.J., and Veiros L.F. J. Organomet. Chem. 635 (2001) 197
28. Haaland A. J. Am. Chem. Soc. 12 (1979) 415
29. Mayor-López M.J., and Weber J. Chem. Phys. Lett. 281 (1997) 226
30. Pasynkiewicz S., Pietrzykowski A., Kryza-Niemiec B., and Anulewicz-Ostrowska R. J. Organomet. Chem. 613 (2000) 37-41
31. Xu Z.-F., Xie Y., Feng W.-L., and Schaefer H.F. J. Phys. Chem. A 107 (2003) 2716
32. Landrum G., and Glassey W. YAeHMOP Version 3.0 User Manual (2001)
33. Edith Chan A.W., and Hoffmann R. J. Chem. Phys. 92 1 (1990)
34. Hoffmann R. Solids and Surfaces. A Chemist's View of Bonding in Extended Structures (1988), VCH, New York
35. Jorgensen W.L., and Salem L. The Organic Chemist's Book of Orbitals (1973), Academia Press, New York
36. Jing Z., and Whitten J.L. Surf. Sci. 250 (1991) 147
37. Ohtani H., Von Hove M.A., and Somorjai G.A. J. Phys. Chem. 92 (1998) 3974
38. Anderson A.B., Mc Devitt R.M., and Urbach F.L. Surf. Sci. 146 (1984) 80
39. Lichtenstein A.I., and Katsnelson M.I. Phys. Rev. Lett. 87 4 (2001) 067205
40. Wong Y.-T., and Hoffmann R. J. Chem. Soc., Faraday Trans. 86 24 (1990) 4083
41. Sung S.-S., and Hoffmann R. J. Phys. Chem. 90 (1986) 1380
42. Silvestre J., and Hoffmann R. Langmuir 1 (1985) 621
43. Elian M., Chen M.M.L., Mingo D.M.P., and Hoffmann R. Inorg. Chem. 15 (1976) 1148