Can Dynamics Be Responsible for the Complex Multipeak Infrared Spectra of NO Adsorbed to Copper(II) Sites in Zeolites?

Angewandte Chemie - International Edition

Volumn 54, Issue 27, 2015, Pages 7799-7804

  Göltl, Florian ^a   Sautet, Philippe ^b   Hermans, Ive ^a,c  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b UNIVERSITÉ DE LYON   (France)

^c University of Wisconsin Madison   (United States)

Author keywords

copper zeolites; heterogeneous catalysis; IR spectroscopy; molecular dynamics; SSZ 13

Indexed keywords

ADSORBATES; CATALYSIS; COPPER; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; POSITIVE IONS; SELECTIVE CATALYTIC REDUCTION; ZEOLITES;

AB INITIO MOLECULAR DYNAMICS SIMULATION; COPPER ZEOLITE; EXPERIMENTAL SPECTRA; MOLECULAR DYNAMICS SIMULATIONS; SELECTIVE CATALYTIC REDUCTION OF NO; SSZ-13; THEORY AND PRACTICE; UNDERLYING DISTRIBUTION;

COPPER COMPOUNDS;

EID: 85027924669     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201501942     Document Type: Article

References (28)

1. M. Iwamoto, H. Yahiro, Y. Mine, S. Kagawa, Chem. Lett. 1989, 213-216.
2. M. Iwamoto, H. Yahiro, K. Tanda, N. Mizuno, Y. Mine, S. Kagawa, J. Phys. Chem. 1991, 95, 3727-3730.
3. U. Deka, I. Lezcano-Gonzalez, B. M. Weckhuysen, A. M. Beale, ACS Catal. 2013, 3, 413-427.
4. J.-H. Kwak, R. G. Tonkyn, D.-H. Kim, J. Szanyi, H. F. Peden, J. Catal. 2010, 275, 187-190.
5. I. Bull, W. M. Xue, P. Burk, R. S. Boorse, W. M. Jaglowski, G. S. Kroemer, A. Moini, J. A. Patchett, J. C. Dettling, M. T. Caudle, U.S. Patent 7 601 662 B2, 2009 to BASF.
6. D. W. Fickel, R. Lobo, J. Phys. Chem. C 2010, 114, 1633-1640.
7. U. Deka, A. Juhin, E. A. Eilertsen, H. Emerich, M. A. Green, S. T. Korhonen, B. M. Weckhuysen, A. M. Beale, J. Phys. Chem. C 2012, 116, 4809-4818.
8. J. H. Kwak, J. H. Lee, S. D. Burton, A. S. Lipton, C. H. F. Peden, J. Szanyi, Angew. Chem. Int. Ed. 2013, 52, 9985-9989
9. Angew. Chem. 2013, 125, 10169-10173.
10. C. Paolucci, A. A. Verma, S. A. Bates, V. F. Kispersky, J. T. Miller, R. Gounder, W. N. Delgass, F. H. Ribeiro, W. F. Schneider, Angew. Chem. Int. Ed. 2014, 53, 11828-11833
11. Angew. Chem. 2014, 126, 12022-12027.
12. F. Gao, E. D. Walter, M. Kollar, Y. Wang, J. Szanyi, C. H. F. Peden, J. Catal. 2014, 319, 1-14.
13. F. Göltl, R. E. Bulo, J. Hafner, P. Sautet, J. Phys. Chem. Lett. 2013, 4, 2244-2249.
14. S. A. Bates, A. A. Verma, C. Paolucci, A. A. Parekh, T. Anggara, A. Yezerets, W. F. Schneider, J. T. Miller, W. N. Delgass, F. H. Ribeiro, J. Catal. 2014, 312, 87-97.
15. R. Zhang, J.-S. McEwen, M. Kollar, F. Gao, Y. Wang, J. Szanyi, C. H. F. Peden, ACS Catal. 2014, 4, 4093-4105.
16. S. A. Bates, W. N. Delgass, F. H. Ribeiro, J. T. Miller, R. Gounder, J. Catal. 2014, 312, 26-36.
17. A. Godiksen, F. N. Stappen, P. N. R. Vennestrøm, F. Giordanino, S. B. Rasmussen, L. F. Lundegaard, S. Mossin, J. Phys. Chem. C 2014, 118, 23126-23138.
18. F. Göltl, J. Hafner, J. Chem. Phys. 2012, 136, 064503.
19. F. Göltl, J. Hafner, J. Chem. Phys. 2012, 136, 064501.
20. C. W. Andersen, M. Bremholm, P. N. R. Vennestrøm, A. B. Blichfeld, L. F. Lundegaard, B. B. Iversen, IUCrJ 2014, 1, 382-386.
21. G. Kresse, J. Hafner, Phys. Rev. B 1993, 48, 13115.
22. G. Kresse, J. Furthmüller, Comput. Mater. Sci. 1996, 6, 15.
23. M.-P. Gaigeot, Phys. Chem. Chem. Phys. 2010, 12, 3336-3359.
24. L. Kantorovich, N. Rompotis, Phys. Rev. B 2008, 78, 094305.
25. T. Janssens, H. Falsig, L. Lundegaard, P. Vennestrøm, S. Rasmussen, P. Moses, F. Giordanino, E. Borfecchia, K. Lomachenko, C. Lamberti, S. Bordiga, A. Godiksen, S. Mossin, P. Beato, ACS Catal. 2015, 5, 2832-2845.
26. E. Borfecchia, L. A. Lomachenko, F. Giordanino, H. Falsig, P. Beato, A. V. Aldatov, S. Bordiga, C. Lamberti, Chem. Sci. 2015, 6, 548-563.
27. P. E. Blöchl, Phys. Rev. B 1994, 50, 17953.
28. P. Fleurat-Lassard, C. Michel, R. E. Bulo, J. Chem. Phys. 2012, 137, 074111.