Is dipole moment a valid descriptor of excited state's charge-transfer character?

Journal of the American Chemical Society

Volumn 135, Issue 46, 2013, Pages 17379-17386

  Petelenz, Piotr ^a   Pac, Barbara ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL RESULTS; DESCRIPTORS; DIMER MODEL; PENTACENE CRYSTALS; QUANTUM CHEMISTRY CALCULATIONS; RESEARCH GROUPS; SINGLET FISSIONS;

CHARGE TRANSFER; DIPOLE MOMENT; QUANTUM CHEMISTRY;

EXCITED STATES;

DIMER; TETRAMER;

ARTICLE; CHARGE TRANSFER; CRYSTAL; DIPOLE; DISSOCIATION; ENERGY TRANSFER; MOLECULE; QUANTUM CHEMISTRY;

EID: 84888366510     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja407379h     Document Type: Article

References (38)

1. Karl, N., Low Molecular Weight Organic Solids. In Organic Electronic Materials; Farchioni, R., Grosso, G., Eds.; Springer: Berlin Heidelberg, 2001; Chapter 6.3.
2. Schlosser, D. W.; Philpott, M. R. Chem. Phys. 1980, 49, 181
3. Hummer, K.; Ambrosch-Draxl, C. Phys. Rev. B 2005, 71 081202
4. Ambrosch-Draxl, C.; Nabok, D.; Puschnig, P.; Meisenbichler, C. New J. Phys. 2009, 11 125010
5. Sharifzadeh, S.; Biller, A.; Kronik, L.; Neaton, J. B. Phys. Rev. B 2012, 85 125307
6. Cudazzo, P.; Gatti, M.; Rubio, A. Phys. Rev. B 2012, 86 195307
7. Merrifield, R. E. J. Chem. Phys. 1961, 34, 1835
8. Bounds, P. J.; Siebrand, W. Chem. Phys. Lett. 1980, 75, 414
9. Bounds, P. J.; Siebrand, W.; Petelenz, P. Chem. Phys. 1981, 63, 303
10. Petelenz, B.; Petelenz, P.; Shurvell, H. F.; Smith, V. H., Jr. Chem. Phys. 1988, 119, 25
11. Yamagata, H.; Norton, J.; Hontz, E.; Olivier, Y.; Beljonne, D.; Brédas, J.-L.; Silbey, R. J.; Spano, F. C. J. Chem. Phys. 2011, 134 204703
12. Sebastian, L.; Weiser, G.; Bässler, H. Chem. Phys. 1981, 61, 125
13. Sebastian, L.; Weiser, G.; Peter, G.; Bässler, H. Chem. Phys. 1983, 75, 103
14. Petelenz, P.; Slawik, M.; Yokoi, K.; Zgierski, M. Z. J. Chem. Phys. 1996, 105, 4427
15. Knupfer, M.; Berger, H. Chem. Phys. 2006, 325, 92
16. Schuster, R.; Knupfer, M.; Berger, H. Phys. Rev. Lett. 2007, 98 037402
17. Roth, F.; Schuster, R.; König, A.; Knupfer, M.; Berger, H. J. Chem. Phys. 2012, 136 204708
18. Tiago, M. L.; Northrup, J. E.; Louie, S. G. Phys. Rev. B 2003, 67 115212
19. Zimmerman, P. M.; Bell, F.; Casanova, D.; Head-Gordon, M. J. Am. Chem. Soc. 2011, 133, 19944
20. Petelenz, P. In Proceedings of the International School of Physics "Enrico Fermi"; Agranovich, V. M.; La Rocca, G. C., Eds.; IOS Press: Amsterdam, 2002; Course CXLIX, pp 1-25.
21. Hochstrasser, R. M. J. Chem. Phys. 1962, 36, 1099
22. Slawik, M.; Petelenz, P. J. Chem. Phys. 1999, 111, 7576
23. Petelenz, P. Chem. Phys. Lett. 1993, 215, 607
24. Munn, R. W.; Petelenz, P.; Siebrand, W. Chem. Phys. 1987, 111, 209
25. Petelenz, P.; Slawik, M. Chem. Phys. 1991, 157, 169
26. Petelenz, P. Org. Electron. 2004, 5, 115
27. Petelenz, P.; Andrzejak, M. Chem. Phys. Lett. 2001, 343, 139
28. Bounds, P. J.; Munn, R. W. Chem. Phys. 1979, 44, 103
29. Eisenstein, I.; Munn, R. W. Chem. Phys. 1983, 77, 47
30. Bounds, P. J.; Siebrand, W.; Eisenstein, I.; Munn, R. W.; Petelenz, P. Chem. Phys. 1985, 95, 197
31. Tsiper, E. V.; Soos, Z. G. Phys. Rev. B 2003, 68 085301
32. Soos, Z. G.; Tsiper, E. V.; Pascal, R. A., Jr. Chem. Phys. Lett. 2001, 342, 652
33. Tiberghien, A.; Delacote, G. J. Phys. (Paris) 1970, 31, 637
34. Tiberghien, A.; Delacote, G. Chem. Phys. Lett. 1971, 8, 88
35. Berkelbach, T. C.; Hybertsen, M. S.; Reichman, D. R. J. Chem. Phys. 2013, 138 114102
36. 2013, 138, 114103
37. Sharifzadeh, S.; Darancet, P.; Kronik, L.; Neaton, J. B. J. Phys. Chem. Lett. 2013, 4, 2197
38. Beljonne, D.; Yamagata, H.; Brédas, J. L.; Spano, F. C.; Olivier, Y. Phys. Rev. Lett. 2013, 110, 226402