Theoretical study on exciton dynamics in dendritic systems: Exciton recurrence and migration

Molecules

Volumn 14, Issue 9, 2009, Pages 3700-3718

  Nakano, Masayoshi ^a   Kishi, Ryohei ^a   Minami, Takuya ^a   Yoneda, Kyohei ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Ab initio MO; Dendrimer; Exciton; Master equation; Migration; Recurrence

Indexed keywords

DENDRIMER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON; THERMODYNAMICS; TIME;

DENDRIMERS; ELECTRONS; MODELS, CHEMICAL; THERMODYNAMICS; TIME FACTORS;

EID: 70349558426     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules14093700     Document Type: Article

References (55)

1. Tomalia, D.A.; Baker, H.; Dewald, J.; Hall, M.; Kallos, G.; Martin, S.; Roeck, J.; Ryder, J.; Smith, P. Dendritic macromolecules: Synthesis of starburst dendrimers. Macromolecules 1986, 19, 2466-2468.
2. Fréchet, J.M.J. Functional polymers and dendrimers: Reactivity, molecular architecture, and interfacial energy. Science 1994, 263, 1710-1715.
3. Kleiman, V.D.; Melinger, J.S.; McMorrow, D. Ultrafast dynamics of electronic excitations in a light-harvesting phenylacetylene dendrimer. J. Phys. Chem. B 2001, 105, 5595-5598.
4. Jansen, J.F.G. A.; de Brabander-van den Berg, E.M.M.; Meijer, E.W. Encapsulation of guest molecules into a dendritic box. Science 1994, 266, 1226-1229.
5. Knapen, J.W.J.; van der Made, A.W.; de Wilde, J.C.; van Leeuwen, P.W.N.M.; Wijkens, P.; Grove, D.M.; van Koten, G. Homogeneous catalysts based on silane dendrimers functionalized with arylnickel(II) complexes. Nature 1994, 372, 659-663.
6. Bosman, A.W.; Janssen, H.M.; Meijer, E.W. About Dendrimers: Structure, physical properties, and applications. Chem. Rev. 1999, 99, 1665-1688.
7. Yokoyama, S.; Nakahama, T.; Otomo, A.; Mashiko, S. Intermolecular coupling enhancement of the molecular hyperpolarizability in multichromophoric dipolar dendrons. J. Am. Chem. Soc. 2000, 122, 3174-3181. (Pubitemid 30207847)
8. Okuno, Y.; Yokoyama, S.; Mashiko, S. Interaction between monomeric units of donor-acceptor- functionalized azobenzene dendrimers: Effects on macroscopic configuration and first hyperpolarizability. J. Phys. Chem. B 2001, 105, 2163-2169.
9. Maiti, P.K.; Çaǧm, T.; Lin, S.-T.; Goddard III, W.A. Effect of solvent and pH on the structure of PAMAM dendrimers. Macromolecules 2005, 38, 979-991.
10. Welch, P.; Muthukumar, M. Tuning the density profile of dendritic polyelectrolytes. Macromolecules 1998, 31, 5892-5897.
11. Stewart, G.M.; Fox, M.A. Chromophore-labeled dendrons as light harvesting antennae. J. Am. Chem. Soc. 1996, 118, 4354-4360.
12. Denti, G.; Campagna, S.; Serroni, S.; Ciano, M.; Balzani, V. Decanuclear homo- and heterometallic polypyridine complexes: syntheses, absorption spectra, luminescence, electrochemical oxidation, and intercomponent energy transfer. J. Am. Chem. Soc. 1992, 114, 2944-2950.
13. Jiang, D.-L.; Aida, T. Morphology-Dependent Photochemical Events in Aryl Ether Dendrimer Porphyrins: Cooperation of Dendron Subunits for Singlet Energy Transduction. J. Am. Chem. Soc. 1998, 120, 10895-10901.
14. Devadoss, C.; Bharathi, P.; Moore, J.S. Energy transfer in dendritic macromolecules: Molecular size effects and the role of an energy gradient. J. Am. Chem. Soc. 1996, 118, 9635-9644.
15. Shortreed, M.R.; Swallen, S.F.; Shi, Z.-Y.; Tan, W.; Xu, Z.; Devadoss, C.; Moore, J.S.; Kopelman, R. Directed energy transfer funnels in dendrimeric antenna supermolecules. J. Phys. Chem. B 1997, 101, 6318-6322.
16. Kopelman, R.; Shortreed, M.; Shi, Z.-Y.; Tan, W.; Xu, Z.; Moore, J.S.; Bar-Haim, A.; Klafter, J. Spectroscopic evidence for excitonic localization in fractal antenna supermolecules. Phys. Rev. Lett. 1997, 78, 1239-1242.
17. Bar-Haim, A.; Klafter, J.; Kopelman, R. Dendrimers as controlled artificial energy antennae. J. Am. Chem. Soc. 1997, 26, 6197-6198.
18. Tretiak, S.; Chernyak, V.; Mukamel, S. Localized electronic excitations in phenylacetylene dendrimers. J. Phys. Chem. B 1998, 102, 3310-3315.
19. Harigaya, H. Optical excitations in diphenylacetylene based dendrimers studied by a coupled exciton model with off-diagonal disorder. Int. J. Mod. Phys. B 1999, 13, 2531-2544.
20. Harigaya, H. Coupled exciton model with off-diagonal disorder for optical excitations in extended dendrimers. Phys. Chem. Chem. Phys. 1999, 1, 1687-1689.
21. Nakano, M.; Takahata, M.; Fujita, H.; Kiribayashi, S.; Yamaguchi, K. Exciton migration dynamics in a dendritic molecular aggregate. Chem. Phys. Lett. 2000, 323, 249-256.
22. Kirkwood, J.C.; Scheurer, C.; Chernyak, V.; Mukamel, S. Simulations of energy funneling and time- and frequency-gated fluorescence in dendrimers. J. Chem. Phys. 2001, 114, 2419-2429.
23. Takahata, M.; Nakano, M.; Fujita, H.; Yamaguchi, K. Mechanism of exciton migration of dendritic molecular aggregate: A master equation approach including weak exciton-phonon coupling. Chem. Phys. Lett. 2002, 363, 422-428.
24. Takahata, M.; Nakano, M.; Yamaguchi, K. Exciton migration in dendritic aggregate systems using the quantum master equation approach involving weak exciton-phonon coupling. J. Theor. Compt. Chem. 2003, 2, 459-479.
25. Nakano, M.; Kishi, R.; Takahata, M.; Nitta, T.; Yamaguchi, K. Exciton dynamics in nanostar dendritic systems using a quantum master equation approach: core monomer effects and possibility of energy transport control. J. Lumin. 2005, 111, 359-366.
26. Ohta, S.; Nakano, M.; Kishi, R.; Takahashi, H.; Furukawa, S.-I. Monte carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling. Chem. Phys. Lett. 2006, 419, 70-74.
27. Nakano, M.; Kishi, R.; Nakagawa, N.; Nitta, T.; Yamaguchi, K. Quantum master equation approach to the second hyperpolarizability of nanostar dendritic systems. J. Phys. Chem. B 2005, 109, 7631-7636.
28. Leegwater, J.A.; Durrant, J.R.; Klug, D.R.J. Exciton equilibration induced by phonons: Theory and application to PS II reaction centers. Phys. Chem. B 1997, 101, 7205-7210.
29. Takahata, M.; Shoji, M.; Nitta, H.; Takeda, R.; Yamanaka, S.; Okumura, M.; Nakano, M.; Yamaguchi, K. Quantum dynamics in high-spin molecules, spin dendrimers, and spin lattices. Int. J. Quantum Chem. 2005, 105, 615-627.
30. Minami, T.; Nakano, M.; Fukui, H.; Nagai, H.; Kishi, R.; Takahashi, H. Exciton Dynamics of molecular aggregate systems composed of triangular lattice units: Structural dependence of exciton migration and recurrence. J. Phys. Chem. C 2008, 112, 16675-16681.
31. Tada, T.; Nozaki, D.; Kondo, M.; Yoshizawa, K. Molecular orbital interactions in the nanostar dendrimer. J. Phys. Chem. B 2003, 107, 14204-14210.
32. Nishioka, K.; Suzuki, M. Dynamics of unidirectional exciton migration to the molecular periphery in a photoexcited compact dendrimer. J. Chem. Phys. 2005, 122, 024708:1-024708:10.
33. Nakano, M.; Takahata, M.; Yamada, S.; Kishi, R.; Nitta, T.; Yamaguchi, K. Exciton migration dynamics in a dendritic molecule: Quantum master equation approach using ab initio molecular orbital configuration interaction method. J. Chem. Phys. 2004, 120, 2359-2367.
34. Kodama, Y.; Ohno, K. Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system. J. Chem. Phys. 2006, 125, 054501:1-054501:6.
35. Kodama, Y.; Ishii, S.; Ohno, K. Dynamics simulation of a π-conjugated light-harvesting dendrimer. J. Phys.: Condens. Matter 2007, 19, 365242:1-365242:8.
36. Kishi, R.; Minami, T.; Fukui, H.; Takahashi, H.; Nakano, M. Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers: Ab initio molecular orbital- configuration interaction based quantum master equation study. J. Chem. Phys. 2008, 125, 244306:1-244306:8.
37. Kim, Y.R.; Share, P.; Pereira, M.; Sarisky, M.; Hochstrasser, R.M. Direct measurements of energy transfer between identical chromophores in solution. J. Chem. Phys. 1989, 91, 7557-7562.
38. Zhu, F.; Gralli, C.; Hochstrasser, R.M. The real-time intramolecular electronic excitation transfer dynamics of 9,9-bifluorene and 2,2-binaphthyl in solution. J. Chem. Phys. 1993, 98, 1042-1057.
39. Matro, A.; Cina, J.A. Theoretical study of time-resolved fluorescence anisotropy from coupled chromophore pairs. J. Phys. Chem. 1995, 99, 2568-2582.
40. Wynne, K.; Hochstrasser, R.M. Coherence effects in the anisotropy of optical experiments. Chem. Phys. 1993, 171, 179-188.
41. Wynne, K.; Gnanakaran, S.; Galli, C.; Zhu, F.; Hochstrasser, R.M. Luminescence studies of ultrafast energy transfer oscillations in dimers. J. Lumin. 1994, 60/61, 735-738.
42. Yamazaki, I.; Akimoto, S.; Yamazaki, T.; Sato, S.-I.; Sakata, Y. oscillatory excitation transfer in dithiaanthracenophane: Quantum beat in a coherent photochemical process in solution. J. Phys. Chem. A 2002, 106, 2122-2128.
43. Yamazaki, I.; Aratani, N.; Akimoto, S.; Yamazaki, T.; Osuka, A. Observation of quantum coherence for recurrence motion of exciton in anthracene dimers in solution. J. Am. Chem. Soc. 2003, 125, 7192-7193.
44. Yamazaki, I.; Akimoto, S.; Aratani, N.; Osuka, A. Observation of coherent recurrence motion of excitons in anthracene dimers. Bull. Chem. Soc. Jpn. 2004, 77, 1959-1979.
45. Nitta, H.; Shoji, M.; Takahata, M.; Nakano, M.; Yamaki, D.; Yamaguchi, K. Quantum dynamics of exciton recurrence motion in dendritic molecular aggregates. J. Photochem. Photobio. A: Chem. 2006, 178, 264-270.
46. Nakano, M.; Ohta, S.; Kishi, R.; Nate, M.; Takahashi, H.; Furukawa, S.-I.; Nitta, H.; Yamaguchi, K. Exciton recurrence motion in aggregate systems in the presence of quantized optical fields. J. Chem. Phys. 2006, 125, 234707:1-234707:14.
47. Nakano, M.; Kishi, R.; Minami, T.; Fukui, H.; Nagai, H.; Yoneda, K.; Takahashi, H. A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach. Chem. Phys. Lett. 2008, 460, 370-374.
48. Kishi, R.; Nakano, M.; Minami, T.; Fukui, H.; Nagai, H.; Yoneda, K.; Takahashi, H. Theoretical Study on Exciton Recurrence Motion in Anthracene Dimer Using the Ab Initio MO-CI Based Quantum Master Equation Approach. J. Phys. Chem. A 2009, 113, 5455-5462.
49. Barth, M.; Manz, J.; Shigeta, Y.; Yagi, K. Unidirectional Electronic Ring Current Driven by a Few Cycle Circularly Polarized Laser Pulse: Quantum Model Simulations for Mg-Porphyrin. J. Am. Chem. Soc. 2006, 128, 7043-7049.
50. Minami, T.; Fukui, H.; Nagai, H.; Yoneda, K.; Kishi, R.; Takahashi, H.; Nakano, M. Quantum master equation approach to exciton recurrence motion in ring-shaped aggregate complexes induced by linear- and circular-polarized laser fields. J. Phys. Chem. C 2009, 113, 3332-3338.
51. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Montgomery, Jr., J.A.; Vreven, T.; Kudin, K.N.; Burant, J.C.; Millam, J.M.; Iyengar, S.S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G.A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J.E.; Hratchian, H.P.; Cross, J.B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R.E.; Yazyev, O.; Austin, A.J.; Cammi, R.; Pomelli, C.; Ochterski, J.W.; Ayala, P.Y.; Morokuma, K.; Voth, G.A.; Salvador, P.; Dannenberg, J.J.; Zakrzewski, V.G.; Dapprich, S.; Daniels, A.D.; Strain, M.C.; Farkas, O.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Ortiz, J.V.; Cui, Q.; Baboul, A.G.; Clifford, S.; Cioslowski, J.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Gonzalez, C.; Pople, J.A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, USA, 2004.
52. Carmichael, H.J. Statistical Methods in Quantum Optics 1; Springer: Berlin, Germany, 1999.
53. Haken, H. Quantenfeldtheorie des Festkörpers; Teubner: Stuttgart, Germany, 1973.
54. Nakano, M.; Shigemoto, I.; Yamada S.; Yamaguchi, K. Size-consistent approach and density analysis of hyperpolarizability: Second hyperpolarizabilities of polymeric systems with and without defects. J. Chem. Phys. 1995, 103, 4175-4191.
55. Nakano, M.; Yamada, S.; Shigemoto, I.; Yamaguchi, K. Dynamic (hyper)polarizability density analysis based on virtual excitation processes: visualization of the dynamic electron fluctuatability of systems under time-dependent external electric fields. Chem. Phys. Lett. 1996, 250, 247-254.