Configuration interaction study of the ground and excited states of TiO2 ring structures

Journal of Chemical Physics

Volumn 134, Issue 11, 2011, Pages

  Tsuchiya, Takashi ^a   Whitten, Jerry L ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION INTERACTIONS; D ORBITALS; ELECTRON CONFIGURATION; EXPERIMENTAL STUDIES; GEOMETRICAL STRUCTURE; LOCALIZED STATE; ORBITALS; RING STRUCTURES; RING SYSTEMS; SIZE EFFECTS; STATE SOLUTION; SYMMETRIC SOLUTION; THEORETICAL STUDY; TIO; TRIPLET STATE; VARIATIONAL ENERGIES; VERTICAL EXCITATION ENERGY;

OXYGEN; TITANIUM; TITANIUM DIOXIDE;

EXCITED STATES;

EID: 79953227021     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3564880     Document Type: Article

References (26)

1. K. Kalyanasundaram and M. Grtzel, Coord. Chem. Rev. 77, 347 (1998). 10.1016/S0010-8545(98)00189-1
2. O. Carp, C. L. Huisman, and A. Reller, Prog. Solid State Chem. 32, 33 (2004). 10.1016/j.progsolidstchem.2004.08.001
3. V. E. Henrich and P. A. Cox, The Surface Science of Metal Oxides (Cambridge, New York, 1994).
4. C. F. Campana, Y. Chen, V. W. Day, W. G. Klemperer, and R. A. Sparks, J. Chem. Soc. Dalton Trans. 1996, 691 (1996). 10.1039/dt9960000691
5. N. Steunou, G. Kickelbick, K. Boubekeur, and C. Sanchez, J. Chem. Soc. Dalton Trans. 1999, 3653 (1999). 10.1039/a906198c
6. R. Asahi, T. Morikawa, T. Ohwaki, K. Aoki, and Y. Taga, Science 293, 269 (2001). 10.1126/science.1061051 (Pubitemid 32694736)
7. H. Irie, Y. Watanabe, and K. Hashimoto, J. Phys. Chem. B 107, 5483 (2003). 10.1021/jp030133h
8. T. Lindgren, J. M. Mwabora, E. Avendao, J. Jonsson, A. Hoel, C.-G. Granqvist, and S.-E. Lindquist, J. Phys. Chem. B 107, 5709 (2003). 10.1021/jp027345j
9. Y. Sakatani, J Nunoshige, H. Ando, K. Okusako, H. Koike, T. Takata, J. N. Kondo, M. Hara, and K. Domen, Chem. Lett. 32, 1156 (2003). 10.1246/cl.2003.1156
10. C. Burda, Y. Lou, X. Chen, A. C. S. Samia, J. Stout, and J. L. Gole, Nano Lett. 3, 1049 (2003). 10.1021/nl034332o (Pubitemid 37289293)
11. S. Sakthivel and H. Kisch, ChemPhysChem 4, 487 (2003). 10.1002/cphc.200200554
12. C. Di Valentin, G. Pacchioni, A. Selloni, S. Livraghi, and E. Giamello, J. Phys. Chem. B 109, 11414 (2005). 10.1021/jp051756t (Pubitemid 40925593)
13. S. Sakthivel and H. Kisch, Angew. Chem., Int. Ed. 42, 4908 (2003). 10.1002/anie.200351577 (Pubitemid 37345387)
14. T. Umebayashi, T. Yamaki, S. Yamamoto, A. Miyashita, S. Tanaka, T. Sumita, and K. Asai, J. Appl. Phys. 93, 5156 (2003). 10.1063/1.1565693
15. J. C. Yu, J. Yu, W. Ho, Z. Jiang, and L. Zhang, Chem. Mater. 14, 3808 (2002). 10.1021/cm020027c
16. M. Anpo, T. Shima, S. Kodama, and Y. Kubokawa, J. Phys. Chem. 91, 4305 (1987). 10.1021/j100300a021
17. L. Kavan, T. Stoto, M. Grtzel, D. Fitzmaurice, and V. Shklover, J. Phys. Chem. 97, 9493 (1993). 10.1021/j100139a038
18. E. Joselevich and I. Willner, J. Phys. Chem. 98, 7628 (1994). 10.1021/j100082a039
19. H.-J. Zhai and L.-S. Wang, J. Am. Chem. Soc. 129, 3022 (2007). 10.1021/ja068601z (Pubitemid 46417980)
20. N. Serpone, D. Lawless, and R. Khairutdinov, J. Phys. Chem. 99, 16646 (1995). 10.1021/j100045a026
21. Z.-W. Qu and G.-J. Kroes, J. Phys. Chem. B 110, 8998 (2006). 10.1021/jp056607p (Pubitemid 43828990)
22. B. Hajgat, D. Szieberth, P. Geerlings, F. De Proft, and M. S. Deleuze, J. Chem. Phys. 131, 224321 (2009). 10.1063/1.3270190
23. J. L. Whitten and M. Hackmeyer, J. Chem. Phys. 51, 5584 (1969). 10.1063/1.1671985
24. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta (Berl.) 35, 33 (1974). 10.1007/BF02394557
25. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta (Berl.) 39, 217 (1975). 10.1007/BF00555301
26. T. Tsuchiya and J. L. Whitten, J. Phys. Chem. C 115, 1635 (2011). 10.1021/jp109393x