Theoretical study on the photophysical properties of hexapyrrolidine C 60 adducts with Th, D3, and S6 symmetries

Journal of Physical Chemistry B

Volumn 109, Issue 12, 2005, Pages 5574-5579

  Li, X D ^a   Cheng, W D ^a,b   Wu, D S ^a,b   Lan, Y Z ^a   Zhang, H ^a   Gong, Y J ^b   Li, F F ^b   Shen, J ^b  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

^b FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ISOMERS; LIGHT EMITTING DIODES; OPTICAL PROPERTIES; OPTIMIZATION; PHOTONS; PROBABILITY DENSITY FUNCTION; SECOND HARMONIC GENERATION;

EXCITATION ENERGY; PHOTOPHYSICAL PROPERTIES; THIRD-HARMONIC GENERATION (THG); TWO-PHOTON ABSORPTION (TPA);

FULLERENES;

EID: 17144397649     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045377w     Document Type: Article

References (22)

1. Taylor, R.; Walton, D. R. M. Nature 1993, 363, 685.
2. Diederich, F.; Thilgen, C. Science 1996, 271, 317.
3. Sun, Y.-P.; Lawson, G. E.; Riggs, J. E.; Ma, B.; Wang, N.; Moton, D. K. J. Phys. Chem. A 1998, 102, 5520.
4. Sun, Y.-P.; Guduru, R.; Lawson, G. E.; Mullins, J. E.; Guo, Z.; Quinlan, J.; Bunker, C. E.; Gord, J. R. J. Phys. Chem. B 2000, 104, 4652.
5. Coheur, P.-F.; Cornil, J.; dos Santos, D. A.; Birkett, P. R.; Liévin, J.; Brédas, J. L.; Walton, D. R. M.; Taylor, R.; Kroto, H. W.; Colin, R. J. Chem. Phys. 2000, 112, 8555.
6. Coheur, P.-F.; Cornil, J.; dos Santos, D. A.; Birkett, P. R.; Liévin, J.; Brédas, J. L.; Janot, J.-M.; Seta, P.; Leach, S.; Walton, D. R. M.; Taylor, R.; Kroto, H. W.; Colin, R. Synth. Met. 1999, 103, 2407.
7. Levitus, M.; Schick, G.; Lunkwitz, R.; Rubin, Y.; Garcia-Garibay, M. A. J. Photochem. Photobiol., A 1999, 127, 13.
8. Luo, C.; Fujitsuka, M.; Watanabe, A.; Ito, O.; Gan, L.; Huang, Y.; Huang, C.-H. J. Chem. Soc., Faraday Trans. 1998, 94, 527.
9. Schick, G.; Levitus, M., Kvetko, L.; Johnson, B. A.; Lamparth, I.; Lunkwitz, R.; Ma, B.; Khan, S. I.; Garcia-Garibay, M. A.; Rubin, Y. J. Am. Chem. Soc. 1999, 121, 3246.
10. Hutchison, K.; Gao, J.; Schick, G.; Rubin, Y.; Wudl, F. J. Am. Chem. Soc. 1999, 121, 5611.
11. Frisch, M. J.; et al. GAUSSIAN98; Gaussian Inc.: Pittsburgh, PA, 1998.
12. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
13. Hirsch, A.; Lamparth, I.; Grösser, T.; Karfunkel, H. R. J. Am. Chem. Soc. 1994, 116, 9385.
14. Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218.
15. Bauemschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
16. Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
17. Orr, B. J.; Ward, J. F. Mol. Phys. 1971, 20, 513.
18. Pierce, B. M. J. Chem. Phys. 1989, 91, 791.
19. Bredas, J. L.; Adant, C.; Tackx, P.; Persoons, A.; Pierce, B. M. Chem. Rev. 1994, 94, 243.
20. Dick, B.; Hochstrasser, R. M.; Trommsdorff, H. P. Nonlinear Optical Properties of Organic Molecules and Crystals; Chemla, D. S., Zyss, J., Eds.; Academic Press: Orlando, FL, 1987; Vol. 2, pp 167-170.
21. Atkins, P. W. Molecular Quantum Mechanics, 2nd ed.; Oxford University Press: 1983; Chaper 11.
22. Li, X.-D.; Cheng, W.-D.; Wu, D.-S.; Zhang, H.; Gong, Y.-J.; Lan, Y.-Z. Chem. Phys. Lett. 2003, 380, 480.