Understanding the absorption and emission spectra of borondipyrromethene dye and its substituted analogues

Molecular Physics

Volumn 110, Issue 8, 2012, Pages 445-456

  Nithya, R ^a   Kolandaivel, P ^a   Senthilkumar, K ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

absorption and emission spectra; borondipyrromethene (BODIPY) dye; CIS; long range separated functional; TDDFT

Indexed keywords

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; EXCITED STATES; SEPARATION;

AB INTIO; ABSORPTION AND EMISSION SPECTRA; CIS; CONFIGURATION INTERACTIONS; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY METHODS; DONOR ACCEPTOR DONORS; EXCITED-STATE GEOMETRIES; FUNCTIONALS; HYBRID EXCHANGE; LONG WAVELENGTH; LONG-RANGE SEPARATED FUNCTIONAL; NEAR INFRARED REGION; PHENYL GROUP; POLARIZABLE CONTINUUM MODEL; SOLVENT PHASE; SPECTRAL PROPERTIES; TDDFT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WIDE SPECTRAL RANGE;

EMISSION SPECTROSCOPY;

EID: 84962449953     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.655792     Document Type: Article

References (56)

1. M. Sameiro and T. Goncalves, Chem. Rev. 109, 190 (2009).
2. J. Han and K. Burgess, Chem. Rev. 110, 2709 (2010).
3. D. Astruc, E. Boisselier and C. Ornelas, Chem. Rev. 110, 1857 (2010).
4. A. Loudet and K. Burgess, Chem. Rev. 107, 4891 (2007).
5. A. Schmitt, B. Hinkeldey, M. Wild and G. Jung, J. Fluoresc. 19, 755 (2009).
6. R. Gresser, M. Hummert, H. Hartmann, K. Leo and M. Riede, Chem. Eur. J. 17, 2939 (2011).
7. W. Qin, M. Baruah, M. Sliwa, M. Van der Auweraer, W.M.D. Borggraeve, D. Beljonne, B.V. Averbeke and N. Boens, J. Phys. Chem. A 112, 6104 (2008).
8. R.P. Haugland, The Handbook. A Guide to Flourescent Probes and Labeling Technologies, 10th edn (Molecular Probes, Eugens, 2005).
9. H. Martin, H. Rudolf, F. Vlastimil (eds), Fluorescence Spectroscopy in Biology: Advanced Methods and their Applications to Membrane Proteins, DNA, and Cells (Springer, Germany 2005).
10. T.A. Golovkova, D.V. Kozlov and D.C. Neckers, J. Org. Chem. 70, 5545 (2005).
11. R. Ziessel, G. Ulrich, A. Harriman, M.A.H. Alamiry, B. Stewart and P. Retailleau, Chem. Eur. J. 15, 1359 (2009).
12. H.Y. Lee, D.R. Bae, J.C. Park, H. Song, W.S. Han and J.H. Jung, Angew. Chem. Int. Ed. 48, 1239 (2009).
13. K. Umezawa, Y. Nakamura, H. Makino, D. Citterio and K. Suzuki, J. Am. Chem. Soc. 130, 1550 (2008).
14. K. Umezawa, A. Matsui, Y. Nakamura, D. Citterio and K. Suzuki, Chem. Eur. J. 15, 1096 (2009).
15. M.E. Casida, In Recent Advances in Density Functional Methods, Part I, edited by DP Chong (World Scientific, Singapore, 1995).
16. E.K.U. Gross, J.F. Dobson and M. Petersilka, in Density Functional Theory II, edited by RF Nalewajski (Springer, Heidelberg, 1996).
17. J.B. Foresman, M. Head-Gordon, J.A. Pople and M.J. Frisch, J. Phys. Chem. 96, 135 (1992).
18. N. Santhanamoorthi, K. Senthilkumar and P. Kolandaivel, Mol. Phys. 107, 1629 (2009).
19. J. Wang, J. Gu and J. Leszczynski, Chem. Phys. Lett. 456, 206 (2008).
20. E.A. Perpete and D. Jacquemin, J. Mol. Struct. (THEOCHEM). 914, 100 (2009).
21. D. Jacquemin, J. Preat, V. Wathelet, M. Fontaine and E.A. Perpete, J. Am. Chem. Soc. 128, 2072 (2006).
22. D. Guillaumont and S. Nakamura, Dyes Pigm. 46, 85 (2000).
23. L.L. Walkup, K.C. Weerasinghe, M. Tao, X. Zhou, M. Zhang, D. Liu and W. Lichang, J. Phys. Chem. C 114, 19521 (2010).
24. M. Pastore, E. Mosconi, F.D. Angelis and M. Gratzel, J. Phys. Chem. C 114, 7205 (2010).
25. W. Qin, V. Leen, W. Dehaen, J. Cui, C. Xu, X. Tang, W. Liu, T. Rohand, D. Beljonne, B.V. Averbeke, J.N. Clifford, K. Driesen, K. Binnemans, M. Van der Auweraer and N. Boens, J. Phys. Chem. C 113, 11731 (2009).
26. D. Jacquemin, C. Peltier and I. Ciofini, J. Phys. Chem. A 114, 9579 (2010).
27. W. Qin, V. Leen, T. Rohand, W. Dehaen, P. Dedecker, M. Van der Auweraer, K. Robeyns, L.V. Meervelt, D. Beljonne, B.V. Averbeke, J.N. Clifford, K. Driesen, K. Binnemans and N. Boens, J. Phys. Chem. A 113, 439 (2009).
28. W. Qin, T. Rohand, W. Dehaen, J.N. Clifford, K. Driesen, D. Beljonne, B.V. Averbeke, M. Van der Auweraer and N. Boens, J. Phys. Chem. A 111, 8588 (2007).
29. K. Burke, J. Werschnik and E.K.U. Gross, J. Chem. Phys. 123, 062206 (2005).
30. X. Li, X. Liu, Z. Wu and H. Zhang, J. Phys. Chem. A 112, 11190 (2008).
31. W. Li, Y.-B. Wang, I. Pavel, Q. Yuan, Y. Ye, E.-Q. Fu, M.-D. Luo, J.-M. Hu and W. Kiefer, J. Phys. Chem. A 109, 2878 (2005).
32. L. Petit, C. Adamo and N. Russo, J. Phys. Chem. B 109, 12214 (2005).
33. I. Ciofini and C. Adamo, J. Phys. Chem. A 111, 5549 (2007).
34. S. Fantacci, F. De Angelis and A. Selloni, J. Am. Chem. Soc. 125, 4381 (2003).
35. D. Jacquemin, E.A. Perpete, I. Ciofini and C. Adamo, Acct. Chem. Res. 42, 326 (2009).
36. A. Dreuw and M. Head-Gordon, J. Am. Chem. Soc. 126, 4007 (2004).
37. A. Dreuw, J.L. Weisman and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
38. Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
39. M. Kamiya, H. Sekino, T. Tsuneda and K. Hirao, J. Chem. Phys. 122, 234111 (2005).
40. H. Iikura, T. Tsuneda, T. Yanai and K. Hirao, J. Chem. Phys. 115, 3540 (2001).
41. T. Yanai, D.P. Tew and N.C. Handy, Chem. Phys. Lett. 393, 51 (2004).
42. J. Plotner, D.J. Tozer and A. Dreuw, J. Chem. Theory Comput. 6, 2315 (2010).
43. B.M. Wong and T.H. Hsieh, J. Chem. Theory Comput. 6, 3704 (2010).
44. A.D. Becke, J. Chem. Phys. 98, 5648 (1993).
45. C.T. Lee, W.Y. Yang and R.G. Parr, Phys. Rev. B 37, 785 (1988).
46. S.H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980).
47. R. Nithya, N. Santhanamoorthi, P. Kolandaivel and K. Senthilkumar, J. Phys. Chem. A 115, 6594 (2011).
48. Y. Zhao and D.G. Truhlar, J. Phys. Chem. A 110, 13126 (2006).
49. J.P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1960).
50. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997).
51. C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999).
52. M. Ernzerhof and G.E. Scuseria, J. Chem. Phys. 110, 5029 (1999).
53. S. Miertus, E. Scrocco and J. Tomasi, Chem. Phys. 55, 117 (1981).
54. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis and J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
55. B.M. Bode and M.S. Gorden, J. Mol. Graphics Model. 16, 133 (1998).
56. Y. Xue, J. Mou, Y. Liu, X. Gong and Y. Yang, Cent. Eur. J. Chem. 8, 928 (2010).