Charge transfer excitation energies in pyridine-silver complexes studied by a QM/MM method

Chemical Physics Letters

Volumn 470, Issue 4-6, 2009, Pages 285-288

  Arcisauskaite, Vaida ^a,b   Kongsted, Jacob ^c   Hansen, Thorsten ^a,d   Mikkelsen, Kurt V ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b VILNIUS UNIVERSITY   (Lithuania)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^d NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; EXCITATION ENERGY; ION EXCHANGE; MASS TRANSFER; MOLECULAR MECHANICS; PYRIDINE;

A DENSITIES; CHARGE-TRANSFER EXCITATIONS; EXCITATION ENERGY LEVELS; METAL SYSTEMS; POLARIZABILITIES; QM/MM METHODS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL APPROACHES; SILVER CLUSTERS; SILVER COMPLEXES; SILVER LAYERS;

ATOMS;

EID: 60949099250     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.01.067     Document Type: Article

References (40)

1. Schatz G.C. Proc. Natl. Acad. Sci. USA 104 (2007) 6885
2. Fleischmann M., Hendra P.J., and McQuillan A.J. Chem. Phys. Lett. 26 (1974) 163
3. Yang W.H., Schatz G.C., and Van Duyne R.P. J. Chem. Phys. 103 (1995) 869
4. Jensen L., Zhao L.L., and Schatz G.C. J. Phys. Chem. C 111 (2007) 4756
5. Corni S., and Tomasi J. J. Chem. Phys. 116 (2002) 1156
6. Masiello D.J., and Schatz G.C. Phys. Rev. A 78 (2008) 042505
7. Albrecht M.G., and Creighton J.A. J. Am. Chem. Soc. 99 (1977) 5215
8. Jeanmaire D.L., and Van Duyne R.P. J. Electroanal. Chem. Interfacial Electrochem. 84 (1977) 1
9. Jensen L., Aikens C.M., and Schatz G.C. Chem. Soc. Rev. 37 (2008) 1061
10. Peyser-Capadona L., Zheng J., Gonzalez J.I., Lee T.H., Patel S.A., and Dickson R.M. Phys. Rev. Lett. 94 (2005) 0583011
11. Nie S., and Emory S. Science 275 (1997) 1102
12. Kneipp K., Wang Y., Kneipp H., Perelman L.T., Itzkan I., Dasari R., and Feld M.S. Phys. Rev. Lett. 78 (1997) 1667
13. Draine B.T., and Flatau P.J. J. Opt. Soc. Am. A 11 (1994) 1491
14. Camden J.P., Dieringer J.A., Wang Y., Masiello D.J., Marks L.D., Schatz G.C., and Van Duyne R.P. J. Am. Chem. Soc. 130 (2008) 12616
15. Zhao L.L., Jensen L., and Schatz G.C. J. Am. Chem. Soc. 128 (2006) 2911
16. Jørgensen S., Ratner M.A., and Mikkelsen K.V. J. Chem. Phys. 115 (2001) 3792
17. Jørgensen S., Ratner M.A., and Mikkelsen K.V. J. Chem. Phys. 115 (2001) 8185
18. Jørgensen S., Ratner M.A., and Mikkelsen K.V. J. Chem. Phys. 116 (2002) 10902
19. Hansen T., and Mikkelsen K.V. Theor. Chem. Acc. 111 (2004) 122
20. Hansen T., Pedersen T.B., and Mikkelsen K.V. Chem. Phys. Lett. 405 (2005) 118
21. Wu D.Y., Hayashi M., Chang C.H., Liang K.K., and Lin S.H. J. Chem. Phys. 118 (2003) 4073
22. Wu D.Y., Liu X.M., Duan S., Xu X., Ren B., Lin S.H., and Tian Z.Q. J. Phys. Chem. C 112 (2008) 4195
23. Hahn J.R., and Ho W.J. J. Chem. Phys. 124 (2006) 204708 1
24. Creighton J.A., Albrecht M.G., Hester R.E., and Matthew J.A.D. Chem. Phys. Lett. 55 (1978) 55
25. Yamada H., Nagata H., Toba K., and Nakao Y. Surf. Sci. 182 (1987) 269
26. Kongsted J., Osted A., Mikkelsen K.V., and Christiansen O. Mol. Phys. 100 (2002) 1813
27. Nielsen C.B., Christiansen O., Mikkelsen K.V., and Kongsted J. J. Chem. Phys. 126 (2007) 1541121
28. van Duijnen P.T., and Swart M. J. Phys. Chem. A 102 (1998) 2399
29. see http://www.kjemi.uio.no/software/dalton/dalton.html, Dalton, an ab initio electronic structure program, Release 2.0 (2005).
30. Yanai T., Tew D.P., and Handy N.C. Chem. Phys. Lett. 393 (2004) 51
31. Kobayashi R., and Amos R.D. Chem. Phys. Lett. 420 (2006) 106
32. Peach M.J.G., Helgaker T., Sałek P., Keal T.W., Lutns O.B., Tozer D.J., and Handy N.C. Phys. Chem. Chem. Phys. 8 (2006) 558
33. Figgen D., Rauhut G., Dolg M., and Stoll H. Chem. Phys. 311 (2004) 227
34. see http://www.theochem.unistuttgart.de/pseudopotentials/, The Stuttgart-Köln pseudopotentials.
35. Kendall R.A., Dunning T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 6796
36. Wang J., Wang G., and Zhao J. J. Chem. Phys. Lett. 380 (2003) 716
37. Fernandez E.M., Soler J.M., Garzon I., and Balbas L.C. Phys. Rev. B 70 (2004) 1654031
38. Marinyuk V.V., Lazorenko-Manevich R.M., and Kolotyrkin Y.M. J. Electroanal. Chem. 110 (1980) 111
39. Demuth J.E., and Sanda P.N. Phys. Rev. Lett. 47 (1981) 57
40. Öǧüt S., Idrobo J.C., Jellinek J., and Wang J. J. Cluster Sci. 17 (2006) 609