Interaction of Co(CO)x with surface sites of SiO2: Theoretical study

Surface Science

Volumn 465, Issue 3, 2000, Pages 277-285

  Suvanto, S ^a   Hirva, P ^a   Pakkanen, T A ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BONDING; CARBON MONOXIDE; CHEMICAL BONDS; SILICA;

DENSITY FUNCTIONAL THEORY;

COBALT COMPOUNDS;

EID: 0034291482     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(00)00713-5     Document Type: Article

References (57)

1. Gürtler O., Miethe W., Seidel H., Saus A. J. Prakt. Chem. 335:1993;47.
2. Kainulainen T.A., Niemelä M.K., Krause A.O.I. J. Mol. Catal. A:Chem. 122:1997;39.
3. Takeuchi K., Hanaoka T.-A., Matsuzaki T., Sugi Y., Reinikainen M. Appl. Catal. 73:1991;281.
4. Ferkul H.E., Berlie J.M., Stanton D.J., McCowan J.D., Bard M.C. Can. J. Chem. 61:1983;1306.
5. Takeuchi K., Matsuzaki T., Hanaoka T.-A., Arakawa H., Sugi Y., Wei K. J. Mol. Catal. 55:1989;361.
6. Niemelä M.K., Krause A.O.I., Vaara T., Kiviaho J.J., Reinikainen M.K.O. Appl. Catal. A: Gen. 147:1996;325.
7. Kiviaho J., Reinikainen M., Niemelä M.K., Kataja K., Jääskeläinen S. J. Mol. Catal. A: Chem. 106:1996;187.
8. Lisitsyn A.S., Golovin A.V., Chuvilin A.L., Kuznetsov V.L., Romanenko A.V., Danilyuk A.F., Yermakov Yu.I. Appl. Catal. 45:1989;235.
9. Matsuzaki T., Takeuchi K., Hanaoka T.-A., Arakawa H., Sugi Y. Appl. Catal. A: Gen. 105:1993;159.
10. Suvanto S., Pakkanen T.A., Backman L. Appl. Catal. A: Gen. 177:1999;25.
11. Schneider R.L., Howe R.F., Watters K.L. Inorg. Chem. 23:1984;4593.
12. Iwasawa Y., Yamada M., Sato Y., Kuroda H. J. Mol. Catal. 23:1984;95.
13. Rao K.M., Spoto G., Zecchina A. J. Catal. 113:1988;466.
14. Rao K.M., Spoto G., Guglielminotti E., Zecchina A. J. Chem. Soc. Faraday Trans. 184:1988;2195.
15. Srinivasan R., De Angelis R.J., Reucroft P.J., Dhere A.G., Bentley J. J. Catal. 116:1989;144.
16. Kiviaho J., Niemelä M.K., Morioka Y., Kataja K. Appl. Catal. 144:1996;93.
17. Blyholder G. J. Mol. Catal. A: Chem. 119:1997;11.
18. Versluis L., Ziegler T., Baerends E.J., Ravenek W. J. Am. Chem. Soc. 111:1989;2018.
19. Antolovic D., Davidson E.R. J. Am. Chem. Soc. 109:1987;5828.
20. Ryeng H., Gropen O., Swang O. J. Phys. Chem. A. 101:1997;8956.
21. Chen Z., Deng Y., Ll L., Xu G. J. Mol. Struct. (Theochem.). 417:1997;247.
22. Folga E., Ziegler T. J. Am. Chem. Soc. 115:1993;5169.
23. Novak I., Huang W., Luo L., Huang H.H., Ang H.G., Zybill C.E. Organometallics. 16:1997;1567.
24. Flörke O.W., Martin B. An Ullmann's Encyclopedia, Industrial Inorganic Chemicals and Products. Vol. 5:1998;Wiley-VCH, Weinheim. Chap. 14.
25. Legrand A.P. Legrand A.P. The Surface Properties of Silica. 1998;Wiley, Chichester, UK.
26. Schröder K.-P., Sauer J. J. Phys. Chem. 100:1996;11043.
27. Vigné-Maeder F., Sautet P. J. Phys. Chem. B. 101:1997;8197.
28. Hill J.-R., Sauer J. J. Phys. Chem. 98:1994;1238.
29. Pelmenschikov A.G., Morosi G., Gamba A. J. Phys. Chem. A. 101:1997;1178.
30. Cypryk M. J. Organometallic Chem. 545/546:1997;483.
31. Ferrari A.M., Ugliengo P., Garrone E. J. Phys. Chem. 97:1993;2671.
32. Ugliengo P., Saunders V., Garrone E. J. Phys. Chem. 94:1990;2260.
33. Hirva P., Pakkanen T.A. Surf. Sci. 271:1992;530.
34. Suzuki T., Hirano M., Tamon H., Okazaki M. J. Phys. Chem. 99:1995;15968.
35. O'Malley P.J., Farnworth K.J. J. Phys. Chem. B. 102:1998;4507.
36. Garrone E., Kazansky V.B., Kustov L.M., Sauer J., Senchenya I.N., Ugliengo P. J. Phys. Chem. 96:1992;1040.
37. Vitiello M., Lopez N., Illas F., Pacchioni G. J. Phys. Chem. A. 104:2000;4674.
38. Ugliengo P., Ferrari A.M., Zecchina A., Garrone E. J. Phys. Chem. 100:1996;3632.
39. Lopez N., Illas F., Pacchioni G. J. Phys. Chem. B. 103:1999;1712.
40. Lopez N., Illas F., Pacchioni G. J. Phys. Chem. B. 103:1999;8552.
41. Lopez N., Illas F., Pacchioni G. J. Am. Chem. Soc. 121:1999;813.
42. Calzaferri G., Imhof R., Törnroos K.W. J. Chem. Soc. Dalton Trans. 1993;3741.
43. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Anders J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzales C., Pople J.A. Gaussian 94, Revision E.2. 1995;Gaussian, Pittsburgh, PA.
44. Huzinaga S. Gaussian Basis Sets for Molecular Calculations. 1984;Elsevier, Amsterdam.
45. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
46. Vansant E.F., Van Der Voort P., Vrancken K.C. Delmon B., Yates J.T. Characterization and Chemical Modification of the Silica Surface. 1995;59 Elsevier, Amsterdam.
47. Fubini B. Legrand A.P. The Surface Properties of Silica. 1998;Wiley, Chichester, UK.
48. King R.B. Encyclopedia of Inorganic Chemistry. Vol. 2:1994;Wiley, Chichester, UK.
49. Llorca J., Homs N., Sales J., Ramírez de la Piscina P. J. Mol. Catal. A: Chem. 96:1995;49.
50. Zecchina A., Otero Areán C. Catal. Rev.-Sci. Eng. 35:1993;261.
51. Garner M.L., Chandra D., Lau K.H. J. Phase Equilibria. 16:1995;24.
52. Hanlan L.A., Huber H., Kündig E.P., McGarvey B.R., Ozin G.A. J. Am. Chem. Soc. 97:1975;7054.
53. Peacor D.R. Z. Kristallogr. 138:1973;274.
54. McNeill E.A., Scholer F.R. J. Am. Chem. Soc. 99:1977;6243.
55. Emerson K., Ireland P.R., Robinson W.T. Inorg. Chem. 9:1970;436.
56. Robinson W.T., Ibers J.A. Inorg. Chem. 6:1967;1208.
57. Hu C.-H., Chong D.P. Ragué Schleyer P.V., Allinger N.L., Clark T., Kollman P.A., Shaefer H.F. III, Gasteiger J. Encyclopedia of Computational Chemistry. Vol. 1:1998;675 Wiley, Chichester, UK.