Vibration frequencies of NCO species as an intermediate for selective reduction of nitrogen monoxide over copper ion-exchanged ZSM-5

Journal of Molecular Catalysis A: Chemical

Volumn 109, Issue 1, 1996, Pages 51-54

  Oka, Hideyuki ^a   Okada, Tadashi ^a   Hori, Kenzi ^b  

^a TOSOH CORPORATION   (Japan)

^b KYUSHU UNIVERSITY   (Japan)

Author keywords

Ab initio molecular orbital method; Cu ZSM 5; Nitrogen oxide

Indexed keywords

EID: 0001866265     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/1381-1169(96)00037-4     Document Type: Article

References (18)

1. S. Sato, Y. Yu-u, H. Yahiro, N. Mizuno and M. Iwamoto, Appl. Catal., 70 (1991) L1.
2. M. Iwamoto, H. Yahiro, K. Tanda, N. Mizuno, Y. Mine and S. Kagawa, J. Phys. Chem. 95 (1991) 3727.
3. J.L. d'Itri and W.M.H. Sachtler, Catal. Lett., 15 (1992) 289.
4. H. Yahiro, Y. Yu, H. Takeda, N. Mizuno and M. Iwamoto, Shokubai, 35 (1993) 130.
5. T. Yonezawa, T. Nagata, H. Kato, A. Imamura and K. Morokuma, An Introduction to Quantum Chemistry, Vol. 2, Kagaku Dojin, Kyoto, 1983.
6. M. Shelef, Catal. Lett., 15 (1992) 305.
7. A.V. Kucherov, J.L. Gerlock, H.-W. Jen and M. Shelef, J. Catal., 152 (1995) 63.
8. J. Rasko, F. Solymosi, J. Chem. Soc., Faraday Trans. 1, 80 (1984) 1841.
9. GAUSSIAN90, M.J. Frisch, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M. Robb, Seeger, C.F. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol and J.A. Pople, Gaussian, Pittsburgh, PA, 1990.
10. GAUSSIAN 92, Revision G.2, M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart and J.A. Pople, Gaussian, Pittsburgh, PA, 1992.
11. M. Head-Gordon, J.A. Pople and M.J. Frisch, Chem. Phys. Lett., 153 (1988) 503.
12. W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys., 56 (1972) 2257.
13. P.C. Hariharan and J.A. Pople, Theor. Chim. Acta, 28 (1973) 213.
14. B. Roos, A. Veillard and G. Vinot, Theor. Chim. Acta, 20 (1971) 1.
15. P. Jeffrey Hay, J. Chem. Phys., 66 (1977) 4377.
16. K. Kitaura, S. Sakaki and K. Morokuma, Inorg. Chem., 20 (1981) 2292.
17. N. Suzuki, A Handbook of Chemistry: Basic Volume II, Maruzen, Tokyo, 1993.
18. J.A. Pople, Isr. J. Chem., 33 (1993) 345.