Theoretical study of subporphyrins

Chemical Physics Letters

Volumn 426, Issue 4-6, 2006, Pages 410-414

  Pichierri, Fabio ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; ENERGY GAP; GROUND STATE; HYDROGEN BONDS; INFRARED RADIATION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SPECTRUM ANALYSIS;

FRONTIER ORBITALS; PORPHYRINOIDS; SUBPORPHYRINS;

CRYSTALLINE MATERIALS;

EID: 33746042202     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.06.010     Document Type: Article

References (28)

1. Torres T. Angew. Chem. Int. Ed. 45 (2006) 2834
2. Rodriguez-Morgade M.S., Esperanza S., Torres T., and Barbera J. Chem. Eur. J. 11 (2005) 354
3. Inokuma Y., Kwon J.H., Ahn T.K., Yoo M.-C., Kim D., and Osuka A. Angew. Chem. Int. Ed. 45 (2006) 961
4. Meller A., and Ossko A. Monatsh. Chem. 103 (1972) 150
5. Claessens C.G., Gonzalez-Rodriguez D., and Torres T. Chem. Rev. 102 (2002) 835
6. Kobayashi N. J. Porphyr. Phthalocya. 3 (1999) 453
7. Martin G., et al. J. Phys. Chem. B 106 (2002) 13139
8. Yamauchi S., et al. J. Phys. Chem. B 107 (2003) 1478
9. Gong X.D., Xiao H.M., Gao P., and Tian H. Theochem 587 (2002) 189
10. Ferro V.R., Poveda L.A., Gonzalez-Jonte R.H., Garcia de la Vega J.M., Torres T., and Del Rey B. J. Porphyr. Phthalocya. 4 (2000) 611
11. Ferro V.R., Garcia de la Vega J.M., Gonzalez-Jonte R.H., and Poveda L.A. Theochem 537 (2001) 223
12. Ferro V.R., Garcia de la Vega J.M., Claessens C.G., Poveda L.A., and Gonzalez-Jonte R.H. J. Porphyr. Phthalocya. 5 (2001) 491
13. Ferro V.R., Poveda L.A., Claessens C.G., Gonzalez-Jonte R.H., and Garcia de la Vega J.M. Int. J. Quantum Chem. 91 (2003) 369
14. Yang Y.J., and Su Z.M. Int. J. Quantum Chem. 103 (2005) 54
15. Zdravkovski D., and Milletti M.C. Theochem 717 (2005) 85
16. Koch W.K., and Holthausen M.C. A Chemist's Guide to Density Functional Theory. second edn. (2001), Wiley-VCH, Weinheim
17. Perdew J.P., Burke K., and Ernzerhov M. Phys. Rev. Lett. 78 (1997) 1396
18. Godbout N., Salahub D.R., Andzelm J., and Wimmer E. Can. J. Chem. 70 (1992) 560
19. Sosa C., Andzelm J., Elkin B.C., Wimmer E., Dobbs K.D., and Dixon D.A. J. Phys. Chem. 96 (1992) 6630
20. Frisch M.J., et al. Gaussian 03 Rev. C. '02 (2004), Gaussian, Inc., Wallingford CT
21. Dunlap B.I. J. Mol. Struct. (Theochem) 529 (2000) 37
22. Gauss View, Version 3.09, R. Dennington II, T. Keith, J. Millam, K. Eppinnett, W.L. Hovell, R. Gilliland, Semichem, Inc., Shawnee Mission, KS, 2003.
23. Schaftenaar G., and Noordik J.H. J. Comput.-Aid. Mol. Des. 14 (2000) 123
24. Alkorta I., and Elguero J. Struct. Chem. 11 (2000) 335
25. Pichierri F. Chem. Phys. Lett. 376 (2003) 781
26. Gouterman M. J. Mol. Spectrosc. 6 (1961) 138
27. Milgrom L.R. The Colours of Life: An Introduction to the Chemistry of Porphyrins and Related Compounds (1997), Springer, Berlin
28. Dreuw A., and Head-Gordon M. Chem. Rev. 105 (2005) 4009