Electronic spectra of the nanostar dendrimer: Theory and experiment

Journal of Physical Chemistry C

Volumn 114, Issue 48, 2010, Pages 20702-20712

  Palma, Julio L ^a,b,e   Atas, Evrim ^b   Hardison, Lindsay ^b   Marder, Todd B ^c   Collings, Jonathan C ^c   Beeby, Andrew ^c   Melinger, Joseph S ^d   Krause, Jeffrey L ^a,b   Kleiman, Valeria D ^b   Roitberg, Adrian E ^a,b  

^a UNIVERSITY OF FLORIDA   (United States)

^b University of Durham ^*  (United States)

^c DURHAM UNIVERSITY   (United Kingdom)

^d NAVAL RESEARCH LABORATORY   (United States)

^e YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION ENERGIES; ABSORPTION PROCESS; BLUE-SHIFTED; CONFORMATIONAL CHANGE; CONJUGATED UNITS; EFFECTS OF TEMPERATURE; ELECTRONIC ABSORPTION; ELECTRONIC SPECTRUM; EXPERIMENTAL SPECTRA; MD SIMULATION; NANOSTAR; QUANTUM MECHANICAL; SEPARATE UNIT; SPECTRAL FEATURE; SPECTROSCOPY MEASUREMENTS; TEMPERATURE DEPENDENCE; ZINDO/S;

ABSORPTION; CHROMOPHORES; DENDRIMERS; QUANTUM THEORY; TEMPERATURE;

ABSORPTION SPECTROSCOPY;

EID: 78650112468     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1062918     Document Type: Article

References (72)

1. Newkome, G. R.; Moorfield, C. N.; Vögtle, F.; Dendrimers and Dendrons; Wiley-VCH: Weinheim, Germany, 2001.
2. Fréchet, J. M. J., Tomalia, D. A., Eds. Dendrimers and Other Dendritic Polymers; John Wiley & Sons: New York, 2002.
3. Kopelman, R.; Shortreed, M.; Shi, Z.-Y.; Tan, W.; Xu, Z.; Moore, J. S.; Bar-Haim, A.; Klafter, J. Phys. Rev. Lett. 1997, 78, 1239.
4. Mukamel, S. Nature 1997, 388, 425.
5. Tretiak, S.; Chernyak, V.; Mukamel, S. J. Chem. Phys. B 1998, 102, 3310.
6. Inoue, K. Prog. Polym. Sci. 2000, 25, 453.
7. Tsukruk, V. V. Adv. Mater. 2001, 13, 95.
8. Lee, C. C.; MacKay, J. A.; Fréchet, J. M. J. J.; Szoka, F. C. Nat. Biotechnol. 2005, 23, 1517.
9. Boas, U.; Heegaard, P. M. H. Chem. Soc. Rev. 2004, 33, 43.
10. Bosman, A. W.; Janssen, H. M.; Meijer, E. Chem. Rev. 1999, 99, 1665.
11. Hecht, S.; Fréchet, J. M. J. Angew. Chem., Int. Ed. 2001, 40, 74.
12. Twyman, L. J.; King, A. S. H.; Martin, I. K. Chem. Soc. Rev. 2002, 31, 69.
13. Adronov, A.; Gilat, S. L.; Fréchet, J. M. J.; Ohta, K.; Neuwahl, F. V. R.; Fleming, G. R. J. Am. Chem. Soc. 2000, 122, 1175.
14. Balzani, V.; Ceroni, P.; Maestri, M.; Saudan, C.; Vicinelli, V. Top. Curr. Chem. 2003, 228, 159.
15. Aida, T.; Jiang, D.-L. J. Am. Chem. Soc. 1998, 120, 10895.
16. Bar-Haim, A.; Klafter, J.; Kopelman, R. J. Am. Chem. Soc. 1997, 119, 6197.
17. Balzani, V.; Campagna, S.; Denti, G.; Juris, A.; Serroni, S.; Venturi, M. Acc. Chem. Res. 1998, 31, 26.
18. Bar-Haim, A.; Klafter, J. J. Lumin. 1998, 76- 77, 197.
19. Momotake, A.; Arai, T. Polymer 2004, 45, 5369.
20. Precup-Blaga, F. S.; Garcia-Martinez, J. C.; Schenning, A. P. H. J.; Meijer, E. W. J. Am. Chem. Soc. 2003, 125, 12953.
21. Hahn, U.; Gorka, M.; Vögtle, F.; Vicinelli, V.; Ceroni, P.; Maestri, M.; Balzani, V. Angew. Chem., Int. Ed. 2002, 41, 3595.
22. Gilat, S. L.; Adronov, A.; Fréchet, J. M. M. Angew. Chem., Int. Ed. 1999, 38, 1422.
23. Tortschanoff, A.; Mukamel, S. J. Phys. Chem. A 2002, 106, 7521.
24. Denti, G.; Campagna, S.; Serroni, S.; Ciano, M.; Balzani, V. J. Am. Chem. Soc. 1992, 114, 2944.
25. Devadoss, C.; Bharathi, P.; Moore, J. S. J. Am. Chem. Soc. 1996, 118, 9635.
26. Atas, E.; Peng, Z.; Kleiman, V. D. J. Phys. Chem. B 2005, 109, 13553.
27. Swallen, S. F.; Kopelman, R.; Moore, J. S.; Devadoss, C. J. Mol. Struct. 1999, 485, 585.
28. Fréchet, J. M. J. Science 1994, 263, 1710.
29. Rana, D.; Gangopadhyay, G. Chem. Phys. Lett. 2001, 334, 314.
30. Swallen, S. F.; Zhu, Z.; Moore, J. S.; Kopelman, R. J. Phys. Chem. B 2000, 104, 3988.
31. Shortreed, M. R.; Swallen, S. F.; Shi, Z.-Y.; Tan, W.; Xu, Z.; Devadoss, C.; Moore, J. S.; Kopelman, R. J. Phys. Chem. B 1997, 101, 6318.
32. Kirkwood, J. C.; Scheurer, C.; Chernyak, V.; Mukamel, S. J. Chem. Phys. 2001, 114, 2419.
33. Bharathi, P.; Patel, U.; Kawaguchi, T.; Pesak, D. J.; Moore, J. S. Macromolecules 1995, 28, 5955.
34. Kleiman, V. D.; Melinger, J. S.; McMorrow, D. J. Phys. Chem. B 2001, 105, 5595.
35. Ortiz, W.; Roitberg, A. E.; Krause, J. L. J. Phys. Chem. B 2004, 108, 8218.
36. Ortiz, W.; Krueger, B. P.; Kleiman, V. D.; Krause, J. L.; Roitberg, A. E. J. Phys. Chem. B 2004, 109, 11512.
37. Krueger, B. P.; Scholes, G. D.; Fleming, G. R. J. Phys. Chem. B 1998, 102, 5378.
38. Poliakov, E. Y.; Chernyak, V.; Tretiak, S.; Mukamel, S. J. Chem. Phys. 1999, 110, 8161.
39. Chernyak, V.; Poliakov, E. Y.; Tretiak, S.; Mukamel, S. J. Chem. Phys. 1999, 111, 4158.
40. Minami, T.; Tretiak, S.; Chernyak, V.; Mukamel, S. J. Lumin. 2000, 87-89, 115.
41. Levitus, M.; Garcia-Garibay, M. A. J. Phys. Chem. A 2000, 104, 8632.
42. Levitus, M.; Schmieder, K.; Ricks, H.; Shimizu, K. D.; Bunz, U. H. F.; Garcia-Garibay, M. A. J. Am. Chem. Soc. 2001, 123, 4259.
43. Beeby, A.; Findlay, K.; Low, P. J.; Marder, T. B. J. Am. Chem. Soc. 2002, 124, 8280.
44. Schmieder, K.; Levitus, M.; Dang, H.; Garcia-Garibay, M. A. J. Phys. Chem. A 2002, 106, 1551.
45. Zerner, M. C. Reviews in Computational Chesmitry; VCH Publishers: New York, 1991; pp 313-366, Vol. 2.
46. Levitus, M.; Schmieder, K.; Ricks, H.; Shimizu, K. D.; Bunz, U. H. F.; Garcia-Garibay, M. A. J. Am. Chem. Soc. 2002, 124, 8181.
47. Magyar, R. J.; Tretiak, S.; Gao, Y.; Wang, H.-L.; Shreve, A. P. Chem. Phys. Lett. 2005, 401, 149.
48. Liu, L. T.; Yaron, D.; Sluch, M. I.; Berg, M. A. J. Phys. Chem. B 2006, 110, 18844.
49. Wu, C.; Malinin, S. V.; Tretiak, S.; Chernyak, V. Y. Nature Phys. 2006, 2, 631.
50. Tada, T.; Nozaki, D.; Kondo, M.; Yoshizawa, K. J. Phys. Chem. B 2003, 107, 14204.
51. Gaab, K. M.; Thompson, A. L.; Xu, J.; Martínez, T. J.; Bardeen, C. J. J. Am. Chem. Soc. 2003, 125, 9288.
52. Thompson, A. L.; Gaab, K. M.; Xu, J.; Bardeen, C. J.; Martínez, T. J. J. Phys. Chem. A 2004, 108, 671.
53. Hutchison, G. R.; Ratner, M. A.; Marks, T. J. J. Phys. Chem. A. 2002, 106, 10596.
54. Urahata, S.; Canuto, S. Int. J. Quantum Chem. 2000, 80, 1062.
55. Coutinho, K.; Canuto, S.; Zerner, M. C. J. Chem. Phys. 2000, 112, 9874.
56. Rocha, W. R.; Almeida, K. J. D.; Coutinho, K.; Canuto, S. Chem. Phys. Lett. 2001, 345, 171.
57. Zwier, M. C.; Shorb, J. M.; Krueger, B. P. J. Comput. Chem. 2007, 28, 1572.
58. Ponder, J. W. TINKER, Software Tools for Molecular Design, version 3.9; Washington University: St. Louis, MO, June 2001. The most updated version for the TINKER program can be obtained from J. W. Ponder's Website at http://dasher.wustl.edu/tinker.
59. Allinger, N. L.; Yuh, Y. H.; Lii, J.-H. J. Am. Chem. Soc. 1989, 111, 8551.
60. Lii, J.-H.; Allinger, N. L. J. Am. Chem. Soc. 1989, 111, 8566.
61. Lii, J.-H.; Allinger, N. L. J. Am. Chem. Soc. 1989, 111, 8576.
62. Okuyama, K.; Hasegawa, T.; Ito, M.; Mikami, N. J. Phys. Chem. 1984, 88, 1711.
63. Okuyama, K.; Cockett, M. C. R.; Kimura, K. J. Chem. Phys. 1992, 97, 1649.
64. Borst, D. R.; Chou, S. G.; Pratt, D. W. Chem. Phys. Lett. 2001, 343, 289.
65. Paterlini, M. G.; Ferguson, D. M. Chem. Phys. 1998, 236, 243.
66. Frisch, M. J.; et al. Gaussian 03, revision B.04; Gaussian, Inc.: Wallingford, CT, 2004.
67. Chow, H.-F.; Wan, C.-W.; Low, K.-H.; Yeung, Y.-Y. J. Org. Chem. 2001, 66, 1910.
68. Nguyen, P.; Lesley, G.; Marder, T.; Ledoux, I.; Zyss, J. Chem. Mater. 1997, 9, 406.
69. Fasina, T. M.; Collings, J. C.; Burke, J. M.; Batsanov, A. S.; Ward, R. M.; Albesa-Jové, D.; Porrès, L.; Beeby, A.; Howard, J. A. K.; Scott, A. J.; Clegg, W.; Watt, S. W.; Viney, C.; Marder, T. B. J. Mater. Chem. 2005, 15, 690.
70. Lyndon, D. P.; Porrès, L.; Beeby, A.; Marder, T. B.; Low, P. J. New J. Chem. 2005, 29, 972.
71. We did not simulate the vibronic bands in this work. We found that a simple calculation of the Franck-Condon factors using Huang- Rhys coefficients within the harmonic approximation is not a proper method in this case due to a large Duschinsky rotation of the normal modes between the ground state and the excited states.
72. Hirata, Y.; Okada, T.; Mataga, N.; Nomoto, T. J. Phys. Chem. 1992, 96, 6559.