Size effect of water cluster on the excited-state proton transfer in aqueous solvent

Chemical Physics Letters

Volumn 505, Issue 4-6, 2011, Pages 117-121

  Liu, Yu Hui ^a,b   Chu, Tian Shu ^a,c  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c QINGDAO UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLVENTS; EXCITED-STATE ENERGY; EXCITED-STATE PROTON TRANSFER; HYDRATED PROTONS; MINIMUM ENERGY; O-H BOND; SIZE EFFECTS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WATER CLUSTER; WATER SOLVENTS; ZWITTERIONIC FORMS;

DENSITY FUNCTIONAL THEORY; HYDRATION; OPTIMIZATION; PHENOLS; PROTON TRANSFER; SOLVENTS;

EXCITED STATES;

EID: 79952814775     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.02.034     Document Type: Article

References (40)

1. K.-L. Han, and G.-J. Zhao Hydrogen Bonding and Transfer in the Excited State 2010 John Wiley & Sons Ltd. UK
2. G.-J. Zhao, J.-Y. Liu, L.-C. Zhou, and K.-L. Han J. Phys. Chem. B 111 2007 8940
3. G.-J. Zhao, B.H. Northrop, P.J. Stang, and K.-L. Han J. Phys. Chem. A 114 2010 3418
4. G.-J. Zhao Chem. Eur. J. 14 2008 6935
5. G.-J. Zhao, and K.-L. Han J. Phys. Chem. A 113 2009 4788
6. G.-J. Zhao, and K.-L. Han Phys. Chem. Chem. Phys. 12 2010 8914
7. H. Zhang, S.F. Wang, Q. Sun, and S.C. Smith Phys. Chem. Chem. Phys. 11 2009 8422
8. H. Zhang, and S.C. Smith J. Theor. Comput. Chem. 6 2007 789
9. J.-J. Liu, A. Hamza, and C.-G. Zhan J. Am. Chem. Soc. 131 2009 11964
10. P.-L. Zhao, L. Wang, X.-L. Zhu, X.-Q. Huang, C.-G. Zhan, J.-W. Wu, and G.-F. Yang J. Am. Chem. Soc. 132 2010 185
11. D. Kanamori, T.A. Okamura, H. Yamamoto, and N. Ueyama Angew. Chem. Int. Ed. 44 2005 969
12. K.S. Kim, K.S. Oh, and J.Y. Lee Proc. Natl. Acad. Sci. USA 97 2000 6373
13. G.-J. Zhao, and K.-L. Han J. Phys. Chem. A 111 2007 2469
14. G.-J. Zhao, and K.-L. Han J. Phys. Chem. A 111 2007 9218
15. S. Chai, G.-J. Zhao, P. Song, S.-Q. Yang, J.-Y. Liu, and K.-L. Han Phys. Chem. Chem. Phys. 11 2009 4385
16. G.-J. Zhao, and K.-L. Han ChemPhysChem 9 2008 1842
17. O. Poizat, E. Bardez, G. Buntinx, and V. Alain J. Phys. Chem. A 108 2004 1873
18. B.J. Siwick, and H.J. Bakker J. Am. Chem. Soc. 129 2007 13412
19. Y. Erez, and D. Huppert J. Phys. Chem. A 114 2010 8075
20. A. Weller Prog. React. Kinet. 1 1961 187
21. M. Eigen, W. Kruse, G. Maass, and L. De Maeyer Prog. React. Kinet. 2 1964 285
22. B.J. Siwick, M.J. Cox, and H.J. Bakker J. Phys. Chem. B 112 2008 378
23. M. Eigen Angew. Chem. Int. Ed. 3 1964 1
24. G. Zundel Adv. Chem. Phys. 111 2000 1
25. D. Marx, M.E. Tuckerman, J. Hutter, and M. Parrinello Nature 397 1999 601
26. O. Markovitch, H. Chen, S. Izvekov, F. Paesani, G.A. Voth, and N. Agmon J. Phys. Chem. B 112 2008 9456
27. S. Woutersen, and H. Bakker J. Phys. Rev. Lett. 96 2006 138305
28. S.F. Mason, J. Philip, and B.E. Smith J. Chem. Soc. A 3051 1968
29. S. Schulman, and Q. Fernando Tetrahedron 24 1968 1777
30. E. Bardez, A. Fedorov, M.N. Berberan-Santos, and J.M.G. Martinho J. Phys. Chem. A 103 1999 4131
31. T.G. Kim, and M.R. Topp J. Phys. Chem. A 108 2004 10060
32. J.L. Pérez-Lustres, F. Rodriguez-Prieto, M. Mosquera, T.A. Senyushkina, N.P. Ernsting, and S.A. Kovalenko J. Am. Chem. Soc. 129 2007 5408
33. A.D. Becke J. Chem. Phys. 98 1993 5648
34. A. Schäfer, C. Huber, and R. Ahlrichs J. Chem. Phys. 100 1994 5829
35. O. Treutler, and R. Ahlrichs J. Chem. Phys. 102 1995 346
36. F. Furche, and R. Ahlrichs J. Chem. Phys. 117 2002 7433
37. R. Ahlrichs, M. Bär, M. Haser, H. Horn, and C. Kölmel Chem. Phys. Lett. 162 1989 165
38. A. Klamt, and G. Schüürmann J. Chem. Soc. - Perkin Trans. 2 5 1993 799
39. T. Yanai, D.P. Tew, and N.C. Handy Chem. Phys. Lett. 393 2004 51
40. M.J. Frisch et al., Gaussian 09 (Revision A.02), Gaussian, Inc., Wallingford, CT, 2009.