Metal-porphyrin: A potential catalyst for direct decomposition of N 2O by theoretical reaction mechanism investigation

Environmental Science and Technology

Volumn 48, Issue 12, 2014, Pages 7101-7110

  Maitarad, Phornphimon ^a   Namuangruk, Supawadee ^b   Zhang, Dengsong ^a   Shi, Liyi ^a   Li, Hongrui ^a   Huang, Lei ^a   Boekfa, Bundet ^c   Ehara, Masahiro ^c  

^a SHANGHAI UNIVERSITY   (China)

^b NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY   (Thailand)

^c National Institutes of Natural Sciences   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CATALYSTS; COPPER; DESORPTION; METALS; MOLECULES; NITROGEN OXIDES; PORPHYRINS;

ADSORPTION ENERGIES; CATALYTIC CYCLES; DIRECT DECOMPOSITION; FIRST CYCLE; NITROUS OXIDE; OVERALL REACTIONS; REACTION MECHANISM; TIO;

DECOMPOSITION;

CHROMIUM; COBALT; COPPER; IRON; NICKEL; NITROUS OXIDE; OXYGEN; PORPHYRIN; TITANIUM; ZINC;

CATALYST; COMPUTER SIMULATION; DECOMPOSITION; DESORPTION; ENDOTHERMY; METAL; NITROUS OXIDE; PORPHYRIN;

ADSORPTION; ARTICLE; CATALYSIS; CHEMICAL BOND; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; DESORPTION; ENERGY; MOLECULE; REACTION ANALYSIS;

ADSORPTION; CATALYSIS; METALS; MODELS, THEORETICAL; NITROUS OXIDE; OXYGEN; PORPHYRINS; THERMODYNAMICS; TITANIUM; ZEOLITES;

EID: 84902579098     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es405767d     Document Type: Article

References (66)

1. 2O): the dominant ozone-depleting substance emitted in the 21st century Science 2009, 326 (5949) 123-125
2. Hall, S. J.; Matson, P. A. Nitrogen oxide emissions after nitrogen additions in tropical forests Nature 1999, 400, 152-155
3. 2O) emissions from vehicles Environ. Sci. Technol. 1999, 33, 4134-4139
4. Kapteijn, F.; Rodriguez-Mirasol, J.; Moulijn, J. A. Heterogeneous catalytic decomposition of nitrous oxide Appl. Catal., B 1996, 9, 25-64
5. Abu-Zied, B. M.; Schwieger, W.; Unger, A. Nitrous oxide decomposition over transition metal exchanged ZSM-5 zeolites prepared by the solid-state ion-exchange method Appl. Catal., B 2008, 84 (1-2) 277-288
6. Li, L. D.; Shen, Q. Y. J. J.; Hao, Z. P.; Xu, Z. P.; Lu, G. Q. M. Fe-USY zeolite catalyst for effective decomposition of nitrous oxide Environ. Sci. Technol. 2007, 41, 7901-7906
7. 2O Appl. Catal., B 2004, 51 (4) 215-228
8. 2O decomposition over Fe-based catalysts: effects of gas-phase composition and catalyst constitution J. Catal. 2002, 208 (1) 211-223
9. 2O decomposition over Cu-ZSM-5 zeolites J. Phys. Chem. C 2012, 116 (38) 20262-20268
10. Namuangruk, S.; Khongpracha, P.; Tantirungrotechai, Y.; Limtrakul, J. Decomposition of nitrous oxide on carbon nanotubes J. Mol. Graphics Modell. 2007, 26 (1) 179-186
11. Pannopard, P.; Khongpracha, P.; Warakulwit, C.; Namuangruk, S.; Probst, M.; Limtrakul, J. Structures, energetics and reaction mechanisms of nitrous oxide on transition-metal-doped and -undoped single-wall carbon nanotubes Chem. Phys. Chem. 2012, 13 (2) 583-587
12. 2O catalytic decomposition over various spinel-type oxides Catal. Today 2007, 119 (1-4) 228-232
13. Jiang, H.; Wang, H.; Liang, F.; Werth, S.; Schiestel, T.; Caro, J. Direct decomposition of nitrous oxide to nitrogen by in situ oxygen removal with a perovskite membrane Angew. Chem., Int. Ed. 2009, 48 (16) 2983-2986
14. 2O decomposition Environ. Sci. Technol. 2009, 43, 890-895
15. 2O decomposition over alumina and ceria supported Rh, Pd and Pt Appl. Catal., B 2010, 96 (3-4) 370-378
16. 3 and the effect of Rh precursors Catal. Lett. 1997, 47, 173-175
17. 2O decomposition: effects of surface structures on catalytic activity J. Phys. Chem. C 2012, 116 (10) 6222-6232
18. 2O decomposiiton over Fe/ZSM-5 with low iron loading J. Phys. Chem. B 2005, 109, 2295-2301
19. Ryder, J. A.; Chakraborty, A. K.; Bell, A. T. Density functional theory study of nitrous oxide decomposition over Fe- and Co-ZSM-5 J. Phys. Chem. B 2002, 106, 7059-7064
20. Groothaert, M. H.; van Bokhoven, J. A.; Battiston, A. A.; Weckhuysen, B. M.; Schoonheydt, R. A. Bis(μ-oxo)dicopper in Cu-ZSM-5 and its role in the decomposition of NO: a combined in situ XAFS, UV-Vis-Near-IR, and kinetic study J. Am. Chem. Soc. 2003, 125, 7629-7640
21. Lisi, L.; Pirone, R.; Russo, G.; Santamaria, N.; Stanzione, V. Nitrates and nitrous oxide formation during the interaction of nitrogen oxides with Cu-ZSM-5 at low temperature Appl. Catal. A, Gen. 2012, 413-414, 117-131
22. Wood, B. R.; Reimer, J. A.; Bell, A. T.; Janicke, M. T.; Ott, K. C. Nitrous oxide decomposition and surface oxygen formation on Fe-ZSM-5 J. Catal. 2004, 224 (1) 148-155
23. 2O decomposition on different types of Fe-Zeolites (Fe-FER, Fe-BEA, Fe-ZSM-5 and Fe-FAU): a combined theoretical and experimental study Chem. Eng. Commun. 2008, 195 (11) 1477-1485
24. Kapteijn, F.; Rodriguez-Mirasol, J.; Moulijn, J. A. Heterogeneous catalytic decomposition of nitrous oxide Appl. Catal., B 1996, 9, 25-64
25. Liu, N.; Zhang, R.; Chen, B.; Li, Y.; Li, Y. Comparative study on the direct decomposition of nitrous oxide over M (Fe, Co, Cu)-BEA zeolites J. Catal. 2012, 294, 99-112
26. Heyden, A.; Peters, B.; Bell, A. T.; Keil, F. J. Comprehensive DFT study of nitrous oxide decomposition over Fe-ZSM-5 J. Phys. Chem. B 2005, 109, 1857-1873
27. 2 conversion during the catalytic decomposition of NO by Cu-zeolites Catal. Lett. 2001, 74, 193-199
28. 2O decomposition on Fe- and Co-ZSM-5: A density functional study Catal. Today 2008, 137 (2-4) 410-417
29. Suslick, K. S.; Rakow, N. A.; Kosal, M. E.; Chou, J.-H. The materials chemistry of porphyrins and metalloporphyrins J. Porphyrins Phthalocyanines 2000, 4, 407-413
30. Campbell, W. M.; Jolley, K. W.; Wagner, P.; Wagner, K.; Walsh, P. J.; Gordon, K. C.; Schmidt-Mende, L.; Nazeeruddin, M. K.; Wang, Q.; Grätzel, M.; Officer, D. L. Highly efficient porphyrin sensitizers for dye-sensitized solar cells J. Phys. Chem. C. Lett. 2007, 111, 11760-11762
31. Harvey, J. Developments in the metal chemistry of N-confused porphyrin Coordin. Chem. Rev. 2003, 247 (1-2) 1-19
32. Scandola, F.; Chiorboli, C.; Prodi, A.; Iengo, E.; Alessio, E. Photophysical properties of metal-mediated assemblies of porphyrins Coord. Chem. Rev. 2006, 250 (11-12) 1471-1496
33. Cheng, N.; Kemna, C.; Goubert-Renaudin, S.; Wieckowski, A. Reduction reaction by porphyrin-based catalysts for fuel cells Electrocatalysis 2012, 3 (3-4) 238-251
34. 2 and CO to metal porphyrin anions in the gas phase Angew. Chem., Int. Ed. 2013, 52 (39) 10374-10377
35. 2) J. Phys. Chem. A 2009, 113, 9202-9206
36. Chen, O.; Groh, S.; Liechty, A.; Ridge, D. P. Binding of nitric oxide to iron(ii) porphyrins: radiative association, blackbody infrared radiative dissociation, and gas-phase association equilibrium J. Am. Chem. Soc. 1999, 121, 11910-11911
37. 2 by heme protein sensors Biochemistry 2012, 51 (1) 172-186
38. 2, CO, NO) in aqueous Solution J. Am. Chem. Soc. 2008, 130, 8006-8015
39. 2, CO, and NO adducts as reduced and substrate-bound models for the active site of bacterial nitric oxide reductase J. Am. Chem. Soc. 2005, 127, 3310-3320
40. Rochford, J.; Chu, D.; Hagfeldt, A.; Galoppini, E. Tetrachelate porphyrin chromophores for metal oxide semiconductor sensitization: effect of the spacer length and anchoring group position J. Am. Chem. Soc. 2007, 129, 4655-4665
41. Li, L. L.; Diau, E. W. Porphyrin-sensitized solar cells Chem. Soc. Rev. 2013, 42 (1) 291-304
42. Sivalingam, Y.; Magna, G.; Pomarico, G.; Catini, A.; Martinelli, E.; Paolesse, R.; Di Natale, C. The influence of gas adsorption on photovoltage in porphyrin coated ZnO nanorods J. Mater.Chem. 2012, 22 (37) 20032-20037
43. Giancane, G.; Valli, L. State of art in porphyrin Langmuir-Blodgett films as chemical sensors Adv. Colloid Interface Sci. 2012, 171-172, 17-35
44. Hu, J.-S.; Guo, Y.-G.; Liang, H.-P.; Wan, L.-J.; Jiang, L. Three-dimensional self-organization of supramolecular self-assembled porphyrin hollow hexagonal nanoprisms J. Am. Chem. Soc. 2005, 127, 17090-17095
45. Lee, S. J.; Hupp, J. T. Porphyrin-containing molecular squares: design and applications Coord. Chem. Rev. 2006, 250 (13-14) 1710-1723
46. Yang, X. L.; Xie, M. H.; Zou, C.; He, Y.; Chen, B.; O'Keeffe, M.; Wu, C. D. Porous metalloporphyrinic frameworks constructed from metal 5,10,15,20-tetrakis(3,5-biscarboxylphenyl)porphyrin for highly efficient and selective catalytic oxidation of alkylbenzenes J. Am. Chem. Soc. 2012, 134 (25) 10638-10645
47. Roy, S.; George, C. B.; Ratner, M. A. Catalysis by a zinc-porphyrin-based metal-organic framework: from theory to computational design J. Phys. Chem. C 2012, 116 (44) 23494-23502
48. Suslick, K. S.; Bhyrappa, P.; Chou, J.-H.; Kosal, M. E.; Nakagaki, S.; Smithenry, D. W.; Wilson, S. R. Microporous porphyrin solids Acc. Chem. Res. 2005, 38, 283-291
49. Finn, C.; Schnittger, S.; Yellowlees, L. J.; Love, J. B. Molecular approaches to the electrochemical reduction of carbon dioxide Chem. Commun. 2012, 48 (10) 1392-1399
50. Leung, K.; Nielsen, I. M. B.; Sai, N.; Medforth, C.; Shelnutt, J. A. Cobalt-porphyrin catalyzed electrochemical reduction of carbon dioxide in water. 2. mechanism from first principles J. Phys. Chem. A 2010, 114, 10174-10184
51. Morris, A. J.; Meyer, G. J.; Fujita, E. Molecular approaches to the photocatalytic reduction of carbon dioxide for solar fuels Acc. Chem. Res. 2009, 42, 1983-1994
52. Groves, J. T.; Roman, J. S. Nitrous oxide activation by a ruthenium porphyrin J. Am. Chem. Soc. 1995, 117, 5594-5595
53. Saito, S.; Ohtake, H.; Umezawa, N.; Kobayashi, Y.; Kato, N.; Hirobe, M.; Higuchi, T. Nitrous oxide reduction-coupled alkene-alkene coupling catalysed by metalloporphyrins Chem. Commun. 2013, 49 (79) 8979-8981
54. Phougat, N.; Vasudevan, P.; Jha, N. K.; Bandhopadhyay, D. K. Metal porphyrins as electrocatalysts for commercially important reacyions Transition Metal Chem. 2003, 28, 838-847
55. Wang, Y. Selective oxidation of hydrocarbons catalyzed by iron-containing heterogeneous catalysts Res. Chem. Intermed. 2006, 32, 235-251
56. Meunier, B. Metalloporphyrins as versatile catalysts for oxidation reactions and oxidative DNA cleavage Chem. Rev. 1992, 92, 1411-1456
57. Murahashi, S.-I.; Naota, T.; Komiya, N. Metalloporphyrin-catalyzed oxidation of alkanes with molecular oxygen in the presence of acetaldehyde Tetrahedron Lett. 1995, 36, 8059-8062
58. Liu, L.; Yu, M.; Wayland, B. B.; Fu, X. Aerobic oxidation of alcohols catalyzed by rhodium(iii) porphyrin complexes in water: reactivity and mechanistic studies Chem. Commun. 2010, 46 (34) 6353
59. Collman, J. P.; Marrocco, M.; Elliott, C. M.; L'Her, M. Electrocatalysis of nitrous oxide reduction comparison of several porphyrins and binary ″face-to-face″ porphyrins J. Electroanal. Chem. 1981, 124, 113-131
60. Zhao, Y.; Truhlar, D. G. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals Theor. Chem. Acc. 2008, 120, 215-41
61. Ditchfield, R.; Hehre, W. J.; Pople, J. A. Self-consistent molecular orbital methods. 9. Extended Gaussian-type basis for molecular-orbital studies of organic molecules J. Chem. Phys. 1971, 54, 724
62. Dunning, Jr., T. H.; Hay, P. J. Modern Theoretical Chemistry; Schaefer, H. F., III, Eds.; Plenum: New York, 1976; vol. 3, pp 1-28.
63. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, revision B.01; Gaussian, Inc.: Wallingford, CT, 2010.
64. Foster, J. P.; Weinhold, F. Natural hybrid orbitals J. Am. Chem. Soc. 1980, 102, 7211-7218
65. Feixas, F.; Sola, M.; Swart, M. Chemical bonding and aromaticity in metalloporphyrin Can. J. Chem. 2009, 87, 1063-1073
66. Feng, X.-T.; Yu, J.-G.; Lei, M.; Fang, W.-H.; Liu, S. Toward understanding metal-binding specificity of porphyrin: a conceptual density functional theory study J. Phys. Chem. C 2009, 113, 13381-13389