Citation: JIANG Li-Lin. Influence of Photoinduced Electron Transfer on the Ground-State Molecular Structure of Rhodamine 6G Determined by Nonresonance Raman Spectroscopy[J]. Acta Physico-Chimica Sinica, ;2014, 30(11): 1987-1992. doi: 10.3866/PKU.WHXB201409252 shu

Influence of Photoinduced Electron Transfer on the Ground-State Molecular Structure of Rhodamine 6G Determined by Nonresonance Raman Spectroscopy

JIANG Li-Lin

1.
Department of Mechanics and Electronics Engineering, Hezhou University, Hezhou 542899, Guangxi Zhuang Autonomous Region, P. R. China

Received Date: 16 August 2014
Available Online: 25 September 2014
Fund Project: 国家自然科学基金(21003033, 21203047) (21003033, 21203047) 广西自然科学面上基金(2014GXNSFAA118019) (2014GXNSFAA118019) 广西教育厅科研重点基金(ZD2014127) (ZD2014127)贺州学院博士科研启动基金(HZUBS201401)资助项目 (HZUBS201401)

Changes of the ground-state molecular structure of rhodamine 6G (Rh6G⁺) in pure electron donor solvent N,N-diethylaniline (DEA) were investigated by nonresonance Raman spectroscopy and quantum chemical calculations to help understand photoinduced intermolecular electron transfer (PIET) in this system. All of the vibrational modes coupled to PIET were determined and assigned. The results indicate that the most prominent vibrational mode at 675 cm^-1, corresponding to the in-plane bending of the xanthene ring, strongly contributes to PIET. Compared with the C―C stretching mode, the C=C stretching vibration of the chromophore aromatic ring of the Rh6G/DEA⁺ charge-transfer complex is more sensitive to PIET. This work provides new insight for designing molecular structures or solvent environments with desirable electron transfer properties for use in photovoltaic devices.
- Ground-state molecular structure,
- Rhodamine 6G,
- Nonresonance Raman spectroscopy,
- Quantum chemical calculation,
- Photoinduced intermolecular electron transfer
1. [1]
  
  (1) Marcus, R. A.; Sutin, N. B. Biochim. Biophys. Acta 1985, 811, 265. doi: 10.1016/0304-4173(85)90014-X
2. [2]
  (2) Maroncelli, M.; MacInnis, J.; Fleming, G. R. Science 1989, 243, 1674. doi: 10.1126/science.243.4899.1674
3. [3]
  (3) Andrews, D. P.; McFadyen, G. G.; Beddard, G. S. Chem. Phys. Lett. 1998, 293, 343. doi: 10.1016/S0009-2614(98)00793-3
4. [4]
  (4) Newton, M. D.; Sutin, N. Anuu. Rev. Phys. Chem. 1984, 35, 437. doi: 10.1146/annurev.pc.35.100184.002253
5. [5]
  (5) Okada, A.; Chernyak, V.; Mukamel, S. J. Phys. Chem. A 1998, 102, 1241.(6) Marcus, R. A. J. Chem. Phys. 1956, 24, 966. doi: 10.1063/1.1742723
6. [6]
  (7) Bixon, M.; Jortner, J. J. Chem. Phys. 1986, 90, 3795. doi: 10.1021/100407a055
7. [7]
  (8) Marcus, R. A. Annu. Rev. Phys. Chem. 1964, 15, 155. doi: 10.1146/annurev.pc.15.100164.001103
8. [8]
  (9) Fleming, G. R.; Martin, J. L.; Breton, J. Nature 1998, 333, 190.
9. [9]
  (10) Frontiera, R. R.; Mathies, R. A. Laser Photonics Rev. 2011, 5, 102. doi: 10.1002/lpor.v5.1
10. [10]
  (11) Frontiera, R. R.; Dasgupta, J.; Mathies, R. A. J. Am. Chem. Soc. 2009, 131, 15630. doi: 10.1021/ja907188b
11. [11]
  (12) Kulinowski, K.; uld, I. R.; Myers, A. B. J. Phys. Chem. 1995, 99, 9017. doi: 10.1021/j100022a012
12. [12]
  (13) Phillips, D. L.; uld, I. R.; Verhoeven, J.W.; Tittelbach- Helmrich, D.; Myers, A. B. Chem. Phys. Lett. 1996, 258, 87. doi: 10.1016/0009-2614(96)00621-5
13. [13]
  (14) Myers, A. B. Chem. Rev. 1996, 96, 911. doi: 10.1021/cr950249c
14. [14]
  (15) Kelley, A. M. J. Phys. Chem. A 1999, 103, 6891.
15. [15]
  (16) Mchale, J. L. Accounts Chem. Res. 2001, 34, 265. doi: 10.1021/ar000007l
16. [16]
  (17) Shoute, L. C. T.; Loppnow, G. R. J. Chem. Phys. 2002, 117, 842. doi: 10.1063/1.1483848
17. [17]
  (18) Doom, S. K.; Hupp, J. T. J. Am. Chem. Soc. 1989, 111, 4704. doi: 10.1021/ja00195a025
18. [18]
  (19) Dasgupta, J.; Frontiera, R. R.; Taylor, K. C.; Lagarias, J. C.; Mathies, R. A. Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 1784. doi: 10.1073/pnas.0812056106
19. [19]
  (20) Shim, S.; Stuart, C. M.; Mathies, R. A. ChemPhysChem 2008, 9, 697. doi: 10.1002/cphc.v9:5
20. [20]
  (21) Freudiger, C.W.; Min,W.; Saar, B. G.; Lu, S.; Holtom, G. R.; He, C.; Tsai, J. C.; Kang, J. X.; Xie, X. S. Science 2008, 322, 1857. doi: 10.1126/science.1165758
21. [21]
  (22) Mukamel, S. Annu. Rev. Phys. Chem. 2000, 51, 691. doi: 10.1146/annurev.physchem.51.1.691
22. [22]
  (23) Dsouza, R. N.; Pischel, U.; Nau,W. M. Chem. Rev. 2011, 111, 7941. doi: 10.1021/cr200213s
23. [23]
  (24) Birtwell, S.; Morgan, H. Integr. Biol. 2009, 1, 345. doi: 10.1039/b905502a
24. [24]
  (25) Berezin, M.; Achilefu, S. Chem. Rev. 2010, 110, 2641. doi: 10.1021/cr900343z
25. [25]
  (26) Borisov, S.;Wolfbeis, O. Chem. Rev. 2008, 108, 423. doi: 10.1021/cr068105t
26. [26]
  (27) Savarese, M.; Aliberti, A.; Santo, I. D.; Battista, E.; Causa, F.; Netti, P. A.; Rega, N. J. Phys. Chem. A 2012, 116, 7491. doi: 10.1021/jp3021485
27. [27]
  (28) Nie, S. M.; Emory, S. R. Science 1997, 275, 1102.
28. [28]
  (29) Qiu, X.; Li, X.; Niu, K.; Lee, S.Y. J. Raman Spectrosc. 2011, 42, 563. doi: 10.1002/jrs.v42.4
29. [29]
  (30) Hildebrandt, P.; Stockburger, M. J. Phys. Chem. 1984, 88, 5935. doi: 10.1021/j150668a038
30. [30]
  (31) Niu, K.; Lee, S.Y. J. Chem. Phys. 2012, 136, 064504. doi: 10.1063/1.3682470
31. [31]
  (32) Michaels, A. M.; Nirmal, M.; Brus, L. E. J. Am. Chem. Soc. 1999, 121, 9932. doi: 10.1021/ja992128q
32. [32]
  (33) Guthmuller, J.; Champagne, B. ChemPhysChem 2008, 9, 1667. doi: 10.1002/cphc.v9:12
33. [33]
  (34) Vosgröne, T.; Meixner, A. J. J. Lumin. 2004, 107, 13 doi: 10.1016/j.jlumin.2003.12.041
34. [34]
  (35) Frisch, M. J.; Trucks, G.W.; Schlegel, H. B.; et al. Gaussian 03, Revision E.01; Gaussian Inc.:Wallingford, CT, 2004.
35. [35]
  (36) Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502. doi: 10.1021/jp960976r
36. [36]
  (37) Nicolet, O.; Banerji, N.; Pagès, S.; Vauthey, E. J. Phys. Chem. A 2005, 109, 8236. doi: 10.1021/jp0532216
37. [37]
  (38) Saik, V. O.; un, A. A.; Fayer, M. D. J. Chem. Phys. 2004, 120, 9601. doi: 10.1063/1.1712826
38. [38]
  (39) Xu, Q. H.; Scholes, G. D.;Yang, M.; Fleming, G. R. J. Phys. Chem. A 1999, 103, 10348.
39. [39]
  (40) Watanabe, H.; Hayazawa, N.; Inouye,Y.; Kawata, S. J. Phys. Chem. B 2005, 109, 5012. doi: 10.1021/jp045771u
40. [40]
  (41) Pan, D.; Hu, D.; Lu, H. P. J. Phys. Chem. B 2005, 109, 16390. doi: 10.1021/jp058043v
41. [41]
  (42) Huo, M. M.; Liu,W. L.; Zheng, Z. R.; Zhang,W.; Li, A. H.; Xu, D. P. Molecules 2011, 16, 1973. doi: 10.3390/molecules16031973
42. [42]
  (43) Jiang, L. L.; Liu,W. L.; Song,Y. F.; He, X.;Wang,Y.;Wang, C.; Wu, H. L.;Yang, F.;Yang,Y. Q. Chem. Phys. 2014, 429, 12. doi: 10.1016/j.chemphys.2013.11.011
43. [43]
  (44) Jiang, L. L.; Liu,W. L.; Song,Y. F.; He, X.;Wang,Y.;Wu, H. L.; Yang,Y. Q. Acta Phys. -Chim. Sin. 2012, 28, 2953. [蒋礼林, 刘伟龙, 宋云飞, 何兴, 王阳, 吴红琳, 杨延强. 物理化学学报, 2012, 28, 2953.] doi: 10.3866/PKU.WHXB2012112
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