Theoretical studies on structures and spectroscopic properties of self-assembled bis(2,4,8,10-tetramethyl-9-methoxycarbonylethyldipyrrin-3-yl) methane with Co(II)

Journal of Physical Chemistry A

Volumn 113, Issue 14, 2009, Pages 3375-3381

  Li, Wei ^a   Yang, Feng ^a   Wang, Zengdong ^a   Hu, Jiming ^b   Ma, Jinshi ^c  

^a WUHAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b WUHAN UNIVERSITY   (China)

^c INSTITUTE OF CHEMISTRY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; DENSITY-FUNCTIONAL THEORIES; EFFECT OF SUBSTITUTIONS; ELECTRONIC STRUCTURE AND OPTICAL PROPERTIES; GAS-PHASE; IR AND RAMAN SPECTRUM; METAL LIGAND CHARGE TRANSFERS; METHYL PROPIONATES; SELF- ASSEMBLIES; SELF-ASSEMBLED; SPECTROSCOPIC PROPERTIES; TETRAMETHYL; THEORETICAL CALCULATIONS; THEORETICAL STUDIES; TIME-DEPENDENT DFT; UV-VIS ABSORPTION SPECTRUMS; VIBRATIONAL ABSORPTIONS;

DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; ELECTRONIC STRUCTURE; GAS ABSORPTION; GAS DYNAMICS; GASES; METHANE; MOLECULAR SPECTROSCOPY; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

ABSORPTION SPECTROSCOPY;

EID: 64849100192     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808793s     Document Type: Article

References (38)

1. Piguet, C.; Bernardinelli, G.; Hopfgartner, G. Chem. Rev. 1997, 97, 2005.
2. Weissbuch, L.; Cohen, S.; Cohen, H.; Leiserowitz, L.; Lahav, M.; Kjaer, K.; Howes, P. B.; Als-Nielsen, J.; Lehn, J. M.; Baxter, P. N. W.; Hanan, G., S.; Schubert, U. S. J. Am. Chem. Soc. 1998, 120, 4850.
3. Fujita, M.; Su, S. Y.; Kusukawa, T.; Funaki, H.; Ogura, K.; Yamaguchi, K. Angew. Chem., Int. Ed. 1998, 37, 2082.
4. Baxter, P. N.; Hanan, G. S.; Lehn, J. M, Chem. Commun. 1996, 17, 20.19.
5. Funeriu, D. P.; Lehn, J. M.; Baum, G.; Fenske, D. Chem.-Eur. J. 1997, 3, 99.
6. Halper, S. R.; Cohen, S. M. Chem. Eur. J. 2003, 9, 4661.
7. Halper, S. R.; Cohen, S. M. Inorg. Chem. 2005, 44, 486.
8. Thoi, V. S.; Stork, J. R.; Magde, D.; Cohen, S. M. Inorg. Chem. 2006, 45, 10688.
9. Bacchi, A.; Carcelli, M.; Gabba, L.; Ianelli, S.; Pelagatti, P. Inorg. Chim. Acta 2003, 342, 229.
10. Yilmaz, M. D.; Bozdemir, O. A.; Akkaya, E. U. Org. Lett. 2006, 8, 2871.
11. Blakemore, J. D.; Chitta, R.; D'Souza, F. Tetrahedron Lett. 2007, 48, 1977.
12. Maeda, H.; Hasegawa, M.; Hashimoto, T.; Kakimoto, T.; Nishio, S.; Nakanishi, T. J. Am. Chem. Soc. 2006, 128, 10024.
13. Wu, Z. K.; Chen, Q. Q.; Xiong, S. X.; Xin, B.; Zhao, Z. W.; Jiang, L. J.; Ma, J. S. Angew. Chem., Int. Ed. 2003, 42, 3271.
14. Zhang, Y.; Wang, Z. M.; Yan, C. H.; Li, G. P.; Ma, J. S. Tetrahedron Lett. 2000, 41, 7717.
15. Chen, Q. Q.; Zhang, Y. J.; Dolphin, D. Tetrahedron Lett. 2002, 43, 84.13.
16. Yang, L. Y.; Chen, Q. Q.; Yang, G. Q.; Ma, J. S. Tetrahedron 2003, 59, 10037.
17. Yang, L. Y.; Zhang, Y.; Yang, G. Q.; Chen, Q. Q.; Ma, J. S. Dyes Pigm. 2004, 62, 27.
18. Yu, L. H.; Muthukumaran, K.; Sazanovich, I. V.; Kirmaier, C.; Hindin, E.; Diers, J. R.; Boyle, P. D.; Bocian, D. F.; Holten, D.; Lindsey, J. S. Inorg. Chem. 2003, 42, 6629.
19. D'Souza, F.; Smith, P. M.; Zandler, M. E.; McCarty, A. L.; Itou, M.; Araki, Y.; Ito, O. J. Am. Chem. Soc. 2004, 126, 7898.
20. Wong, M. W. Chem. Phys. Lett. 1996, 256, 391.
21. Bytheway, L; Wong, M. W. Chem. Phys. Lett. 1998, 2S2, 219.
22. Vlček, A., Jr.; ZáliS, S. Coord. Chem. Rev. 2007, 251, 258.
23. Ciofini, L; Lainé, P. P.; Bedioui, F.; Adamo, C. J. Am. Chem. Soc. 2004, 126, 10763.
24. Nazeeruddin, M. K.; Angelis, F. D.; Fantacci, S.; Selloni, A.; Viscardi, G.; Liska, P.; Ito, S.; Takeru, B.; Grätzel, M. J. Am. Chem. Soc. 2005, 127, 16835.
25. Miao, T. F.; Li, S.; Cai, J. J. Mol. Struct. (THEOCHEM) 2008, 855, 45.
26. Xu, L. C.; Li, J.; Shi, S.; Zheng, K. C.; Ji, L. N. J. Mol. Struct. THEOCHEM) 2008, 855, 77.
27. Li, M. X.; Zhou, X.; Xia, B. H.; Zhang, H. X.; Pan, Q. J.; Liu, T.; Fu, H. G.; Sun, C. C. Inorg. Chem. 2008, 47, 2312.
28. David, K. S.; Hemeryck, A.; Tancrez, N.; Toupet, L.; Williams, J. A. G.; Ledoux, L; Zyss, J.; Boucekkine, A.; Guégan, J. P.; Bozec, H. L.; Maury, O. J. Am. Chem. Soc. 2006, 128, 12243.
29. (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
30. (b) Becke, A. D. Phys. Rev. A 1988, 38, 3098.
31. (c) Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
32. (d) Vosko, S. H.; WiIk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
33. (e) Lee, C.; Yang, W.; Parr, P. G. Phys. Rev. B 1988, 37, 785.
34. Frisch, M. J.; et al. Gaussian 03; Gaussian, Inc.; Pittsburgh, PA, 2003.
35. Browne, W. R.; O'Boyle, N. M.; McGarvey, J. J.; Vos, J. G. Chem. Soc. Rev. 2005, 34, 641.
36. O'Boyle ; N. M., Vos, J. G. GaussSum 1.0; Dublin. City University, 2005. Available at http://gausssum.sou.rcefo.rge.net.
37. Li, W.; Wang, Y. B.; Yang, L. Y.; Shang, X. F.; Cai, X.; Szeghalmi, A.; Ye, Y.; Ma, J. S.; Luo, M. D.; Hu, J. M.; Kiefer, W. J. Phys. Chem. B 2006, HO, 21958.
38. Li, X. Y.; Czernuszewicz, R. S.; Kincaid, J. R.; Su, Y. O.; Spiro, T. G. J. Phys. Chem. 1990, 94, 31.