Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles

Journal of Chemical Physics

Volumn 123, Issue 19, 2005, Pages

  Wang, Yan Hua ^a,b   Halik, Marcus ^c   Wang, Chuan Kui ^a,b   Marder, Seth R ^c,d   Luo, Yi ^a  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

^b SHANDONG NORMAL UNIVERSITY   (China)

^c University of Arizona   (United States)

^d GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIOXABORINE; HARTREE-FOCK LEVELS; PHOTON ABSORPTION; SOLVENT EFFECTS;

CHARGE TRANSFER; ENERGY ABSORPTION; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; ORGANIC SOLVENTS; PROBABILITY DENSITY FUNCTION;

BORON COMPOUNDS;

EID: 27744587300     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2121590     Document Type: Article

References (34)

1. M. Albota, D. Beljonne, J.-L. Bŕdas, Science 281, 1653 (1998).
2. M. Rumi, J. E. Ehrlich, A. A. Heikal, J. Am. Chem. Soc. 122, 9500 (2000).
3. S. J. K. Pond, M. Rumi, M. D. Levin, T. C. Parker, D. Beljonne, M. W. Day, J. L. Bŕdas, S. R. Marder, and J. W. Perry, J. Phys. Chem. A 106 (47), 11470 (2002).
4. S. Kato, T. Matsumoto, T. Ishi-i, T. Thiemann, M. Shigeiwa, H. Gorohmaru, S. Maeda, Y. Yamashita, and S. Mataka, Chem. Commun. (Cambridge) 20, 2342 (2004).
5. J.-D. Guo, C.-K. Wang, Y. Luo, and H. Ågren, Phys. Chem. Chem. Phys. 5, 3869 (2003).
6. C.-K. Wang, K. Zhao, Y. Su, Y. Ren, X. Zhao, and Y. Luo, J. Chem. Phys. 119, 1208 (2003).
7. I. Deperasinska, and J. Prochorow, Adv. Mol. Relax. Interact. Processes 11, 51 (1977).
8. J. E. Rogers, J. E. Slagle, D. G. McLean, R. L. Sutherland, B. Sankaran, R. Kannan, L. S. Tan and P. A. Fleitz, J. Phys. Chem. A 108, 5514 (2004).
9. J. A. Marsden, J. J. Miller, L. D. Shirtcliff, and M. M. Haley, J. Am. Chem. Soc. 127, 2464 (2005).
10. X.-H. Duan, X.-Y. Li, R.-X. He, and X.-M. Cheng, J. Chem. Phys. 122, 084314 (2005).
11. G. Nandini and D. N. Sathyanarayana, Spectrochim. Acta, Part A 60, 1115 (2004).
12. C. M. Previtali, Pure Appl. Chem. 67, 127 (1995).
13. J. Gierschner, H.-G. Mack, L. Lüer, and D. Oelkrug, J. Chem. Phys. 116, 8596 (2002).
14. J. Gierschner, H.-G. Mack, H.-J. Egelhaaf, S. Schweizer, B. Doser, and D. Oelkrug, Synth. Met. 138, 311 (2003).
15. M. Dierksen and S. Grimme, J. Chem. Phys. 120, 3544 (2004).
16. P. Macak, Y. Luo, and H. Ågren, Chem. Phys. Lett. 330, 447 (2000).
17. P. Rapta and H. Hartmann, Electrochim. Acta 39, 2251 (1994).
18. H.-D. Ilge, J. Photochem. 32, 177 (1986).
19. G. Goerlitz, Ber. Bunsenges. Phys. Chem. 102, 1449 (1998).
20. H. Hartmann, J. Prakt. Chem. 328, 755 (1986).
21. M. T. Cancs, B. Mennucci, and J. Tomasi, J. Chem. Phys. 0021-9606 10.1063/1.474659 107, 3032 (1997); M. Cossi, V. Barone, B. Mennucci, and J. Tomasi, Chem. Phys. Lett. 286, 253 (1998).
22. M. T. Cancs, B. Mennucci, and J. Tomasi, J. Chem. Phys. 0021-9606 10.1063/1.474659 107, 3032 (1997); M. Cossi, V. Barone, B. Mennucci, and J. Tomasi, Chem. Phys. Lett. 286, 253 (1998).
23. J. B. Foresman, M. Head-Gordon, J. A. Pople, and M. J. Frisch, J. Phys. Chem. 96, 135 (1992).
24. E. Negri and M. Z. Zgierski, J. Chem. Phys. 100, 2571 (1994).
25. A. Dreuw, J. L. Weisman, and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
26. M. Dewar and W. Thiel, J. Am. Chem. Soc. 0002-7863 99, 4499 (1977); L. P. Davis, R. M. Guidry, J. R. Williams, M. J. S. Dewar, and H. S. Rzepa, J. Comput. Chem. 2, 433 (1981).
27. M. Dewar and W. Thiel, J. Am. Chem. Soc. 0002-7863 99, 4499 (1977); L. P. Davis, R. M. Guidry, J. R. Williams, M. J. S. Dewar, and H. S. Rzepa, J. Comput. Chem. 2, 433 (1981).
28. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
29. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
30. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
31. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
32. G. A. Petersson and M. A. Al-Laham, J. Chem. Phys. 0021-9606 10.1063/1.460447 94, 6081 (1991); G. A. Petersson, A. Bennett, T. G. Tensfeldt, M. A. Al-Laham, W. A. Shirley, and J. Mantzaris, J. Chem. Phys. 89, 2193 (1988).
33. G. A. Petersson and M. A. Al-Laham, J. Chem. Phys. 0021-9606 10.1063/1.460447 94, 6081 (1991); G. A. Petersson, A. Bennett, T. G. Tensfeldt, M. A. Al-Laham, W. A. Shirley, and J. Mantzaris, J. Chem. Phys. 89, 2193 (1988).
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, revision B.03, Gaussian, Inc., Wallingford, CT, 2004.