Roles of the active species involved in the photocatalytic oxidation of benzyl alcohol into benzaldehyde on TiO2 under UV light: Experimental and DFT studies

Journal of Molecular Catalysis A: Chemical

Volumn 420, Issue , 2016, Pages 82-87

  Zhao, Lei ^a   Zhang, Baoyue ^a   Xiao, Xin ^a   Gu, Feng Long ^a   Zhang, Rui Qin ^b  

^a SOUTH CHINA NORMAL UNIVERSITY   (China)

^b CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

Active species; Benzyl alcohol; DFT calculation; Photocatalytic oxidation; Reaction mechanism

Indexed keywords

ABSTRACTING; DEHYDRATION; FREE RADICALS; OXIDATION; OXYGEN; TITANIUM DIOXIDE;

ACTIVE SPECIES; BENZYL ALCOHOL; DFT CALCULATION; PHOTOCATALYTIC OXIDATIONS; REACTION MECHANISM;

DENSITY FUNCTIONAL THEORY;

EID: 84964378584     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2016.03.012     Document Type: Article

References (45)

1. J. Kroschwitz, New York (1992).
2. G. Brink, I. Arends, and R. Sheldon Science 287 2000 1636 1639
3. R. Irie, and T. Katsuki Chem. Rev. 104 2004 3037 3058
4. M. Nechab, C. Einhorn, and J. Einhorn Chem. Commun. 2004 1500 1501
5. C.-J. Li, G.-R. Xu, B. Zhang, and J.R. Gong Appl. Catal. B-Environ. 115 2012 201 208
6. K. Mori, T. Hara, T. Mizugaki, K. Ebitani, and K. Kaneda J. Am. Chem. Soc. 126 2004 10657 10666
7. A. Li, P. Zhang, X. Chang, W. Cai, T. Wang, and J. Gong Small 11 2015 1892 1899
8. K. Yamaguchi, and N. Mizuno Angew. Chem. Int. Ed. 23 2002 4538
9. Y. HauáNg Chem. Commun. 2008 3181 3183
10. A. Fujishima, and K. Honda Nature 238 1972 37 38
11. D.A. Nicewicz, and D.W. MacMillan Science 322 2008 77 80
12. R. Li, H. Kobayashi, J. Guo, and J. Fan J. Phys. Chem. C 115 2011 23408 23416
13. M. Zhang, Q. Wang, C. Chen, L. Zang, W. Ma, and J. Zhao Angew. Chem. Int. Ed. 48 2009 6081 6084
14. X. Xiao, J. Jiang, and L. Zhang Appl. Catal. B-Environ. 142 2013 487 493
15. M. Qamar, R.B. Elsayed, K.R. Alhooshani, M.I. Ahmed, and D.W. Bahnemann ACS Appl. Mater. Interfaces 7 2015 1257 1269
16. S. Higashimoto, N. Suetsugu, M. Azuma, H. Ohue, and Y. Sakata J. Catal. 274 2010 76 83
17. S. Higashimoto, N. Kitao, N. Yoshida, T. Sakura, M. Azuma, H. Ohue, and Y. Sakata J. Catal. 266 2009 279 285
18. X. Pang, C. Chen, H. Ji, Y. Che, W. Ma, and J. Zhao Molecules 19 2014 16291 16311
19. J.M. Burns, W.J. Cooper, J.L. Ferry, D.W. King, B.P. DiMento, K. McNeill, C.J. Miller, W.L. Miller, B.M. Peake, and S.A. Rusak Aquat. Sci. 74 2012 683 734
20. B.H. Bielski, D.E. Cabelli, R.L. Arudi, and A.B. Ross J. Phys. Chem. Ref. Data 14 1985 1041 1100
21. C.S. Guo, M. Ge, L. Liu, G.D. Gao, Y.C. Feng, and Y.Q. Wang Environ. Sci. Technol. 44 2009 419 425
22. B.-T. Zhang, Z. Li-Xia, and L. Jin-Ming J. Environ. Sci. 20 2008 1006 1011
23. G.L. Newton, and J.R. Milligan Radiat. Phys. Chem. 75 2006 473 478
24. C. Lu, G. Song, and J.-M. Lin TrAC - Trends Anal. Chem. 25 2006 985 995
25. E. Guinea, C. Arias, P.L. Cabot, J.A. Garrido, R.M. Rodríguez, F. Centellas, and E. Brillas Water Res. 42 2008 499 511
26. P. Fernández-Castro, M. Vallejo, M. San Román, and I. Ortiz J. Chem. Technol. Biotechnol. 90 2015 796 820
27. W. Li, D. Li, Y. Lin, P. Wang, W. Chen, X. Fu, and Y. Shao J. Phys. Chem. C 116 2012 3552 3560
28. Z. Zhu, Z. Lu, D. Wang, X. Tang, Y. Yan, W. Shi, Y. Wang, N. Gao, X. Yao, and H. Dong Appl. Catal. B-Environ. 182 2016 115 122
29. S. Wu, X. Shen, G. Zhu, H. Zhou, Z. Ji, K. Chen, and A. Yuan Appl. Catal. B-Environ. 184 2016 328 336
30. W. Lu, T. Xu, Y. Wang, H. Hu, N. Li, X. Jiang, and W. Chen Appl. Catal. B-Environ. 180 2016 20 28
31. S. Chen, Y. Hu, S. Meng, and X. Fu Appl. Catal. B-Environ. 150 2014 564 573
32. Y. Zhang, N. Zhang, Z.-R. Tang, and Y.-J. Xu Chem. Sci. 4 2013 1820 1824
33. Z.H. Shah, Y. Ge, X. Lin, J. Xiu, S. Zhang, and R. Lu Phys. Chem. Chem. Phys. 2016
34. X. Xin, J. Lang, T. Wang, Y. Su, Y. Zhao, and X. Wang Appl. Catal. B-Environ. 181 2016 197 209
35. M. Zhang, C. Chen, W. Ma, and J. Zhao Angew. Chem. Int. Ed. 120 2008 9876 9879
36. G.W. T, M.J. Frisch, H.B. Schlegel, G.E. Scuseria, J.R.C.M.A. Robb, G. Scalmani, V. Barone, B. Mennucci, H.N.G.A. Petersson, M. Caricato, X. Li, H.P. Hratchian, J.B.A.F. Izmaylov, G. Zheng, J.L. Sonnenberg, M. Hada, K.T.M. Ehara, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, O.K.Y. Honda, H. Nakai, T. Vreven, J.A. Montgomery Jr., F.O.J.E. Peralta, M. Bearpark, J.J. Heyd, E. Brothers, V.N.S.K.N. Kudin, T. Keith, R. Kobayashi, J. Normand, A.R.K. Raghavachari, J.C. Burant, S.S. Iyengar, J. Tomasi, N.R.M. Cossi, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, C.A.V. Bakken, J. Jaramillo, R. Gomperts, R.E. Stratmann, A.J.A.O. Yazyev, R. Cammi, C. Pomelli, J.W. Ochterski, K.M.R.L. Martin, V.G. Zakrzewski, G.A. Voth, J.J.D.P. Salvador, S. Dapprich, A.D. Daniels, J.B.F.O. Farkas, J.V. Ortiz, J. Cioslowski, and a.D.J. Fox Gaussian 09 Revision D.01 2013 Gaussian, Inc Wallingford, CT
37. Y. Zhao, and D.G. Truhlar Theor. Chem. Acc. 120 2008 215 241
38. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 270 283
39. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Chem. Phys. 80 1984 3265 3269
40. C. Gonzalez, and H.B. Schlegel J. Chem. Phys. 90 1989 2154 2161
41. C. Gonzalez, and H.B. Schlegel J. Chem. Phys. 94 1990 5523 5527
42. J. Tomasi, B. Mennucci, and R. Cammi Chem. Rev. 105 2005 2999 3094
43. C. Legault, Université de Sherbrooke (2009).
44. W. Li, D. Li, Y. Lin, P. Wang, W. Chen, X. Fu, and Y. Shao J. Phys. Chem. C 116 2012 3552 3560
45. L.B. Pandey, and C.M. Aikens J. Phys. Chem. A 116 2011 526 535