Molecular structure and visible absorption maximum of cobalt phthalocyanine: Quantum calculations via semi-empirical methods

Dyes and Pigments

Volumn 77, Issue 2, 2008, Pages 277-280

  Li, Fang ^a,b   Zheng, Qiguang ^a,b   Yang, Guang ^a,b   Lu, Peixiang ^a,b  

^a HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Cobalt phthalocyanine; Molecular structure; PM3; Visible absorption maximum; ZINDO S

Indexed keywords

ABSORPTION; COMPUTATIONAL GEOMETRY; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; OPTIMIZATION; QUANTUM THEORY;

COBALT PHTHALOCYANINE; QUANTUM CALCULATIONS; VISIBLE ABSORPTION MAXIMUM;

COBALT COMPOUNDS;

ABSORPTION; CALCULATION; MOLECULAR STRUCTURE; OPTIMIZATION;

EID: 35649004841     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2007.05.009     Document Type: Article

References (29)

1. Moser F.H., and Thomas A.L. The phthalocyanines vols. 1 and 2 (1983), CRC Press, Boca Raton, FL
2. Zhao A., Li Q., Chen L., Xiang H., Wang W., Pan S., et al. Science 309 (2005) 1542
3. Cotter D., Manning R.J., Blow K.J., Ellis A.D., Kelly A.E., Nesset D., et al. Science 286 (1999) 1523
4. Perry J.W., Mansour K., Lee I.-Y.S., Wu X.-L., Bedworth P.V., Chen C.-T., et al. Science 273 (1996) 1533
5. Falk J.E. Porphyrins and metalloprophyrins (1964), Elsevier, Amsterdam
6. Achar B.N., and Jayasree P.K. Synth Met 114 (2000) 219
7. Griffths J., and Schofield J. Dyes Pigments 33 (1997) 65
8. Zagal J.H. Coord Chem Rev 119 (1992) 89
9. Sakamoto K., and Kato T. Dyes Pigments 64 (2005) 63
10. Gong X.D., Xiao H.M., and Tian H. J Mol Struct (Theochem) 593 (2002) 93
11. Arslanoglu Y., and Sevim A. Dyes Pigments 68 (2006) 129
12. Kobayashi N. J Porphyrins Phthalocyanines 4 (1999) 345
13. Ohnholz D.H., Steinbrecher S., and Hanack M. J Mol Struct 521 (2000) 231
14. Matsuoka M. Infrared absorbing dyes (1990), Plenum Press, New York
15. Tian H., and Chen K.C. Dyes Pigments 27 (1995) 191
16. Leznoff C.C., and Lever A.B.P. Phthalocyanines properties and application (1993), VCH Publishers, New York
17. Almgren T., and Hagstram I. Water Res 8 (1974) 395
18. Fischer H., Schulz-Ekloff G., and Wohrle D. Chem Eng Technol 20 (1997) 624
19. Collins R.A., and Mohammed K.A. J Phys D 21 (1988) 142
20. Hamann C., Hietschold M., Mrwa A., Mueller A., Starke M., and Kilper R. Top Mol Organ Eng 7 (1991) 129
21. Pan Y., Chen W.X., Lu S.F., and Zhang Y.F. Dyes Pigments 66 (2005) 115
22. Sun-li M., Bertha O., Su-Moon P., David I., and Narayan D. J Electrochem Soc 142 (1995) 1436
23. Figgis B.N., Kucharski E.S., and Reynolds P.A. J Am Chem Soc 111 (1989) 1683
24. Rosa A., and Baerends E.J. Inorg Chem 33 (1994) 584
25. Reynolds Philip A., and Figgis Brian N. Inorg Chem 30 (1991) 2294
26. Lu X., Hipps K.W., Wang X.D., and Mazur U. J Am Chem Soc 118 (1996) 7197
27. Anderson W.P., Cundari T.R., and Zerner M.C. Int J Quantum Chem 39 (1991) 31
28. Yuan S.F., and Chen Z.R. J Phys Chem A 109 (2005) 2582
29. Edwards L., and Gouterman M. J Mol Spectrosc 33 (1970) 292