Interpretation of the electronic spectra of phthalocyanines with transition metals from quantum-chemical calculations by the density functional method

Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

Volumn 101, Issue 6, 2006, Pages 853-861

  Maslov, V G ^a  

^a VAVILOV STATE OPTICAL INSTITUTE   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; EXCITONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TRANSITION METALS;

ELECTRON LOCALIZATION; EXCITED STATES; PHTHALOCYANINES; QUANTUM CHEMICAL CALCULATIONS;

ORGANOMETALLICS;

EID: 33845784852     PISSN: 0030400X     EISSN: 15626911     Source Type: Journal    
DOI: 10.1134/S0030400X0612006X     Document Type: Article

References (17)

1. M. Gouterman, J. Mol. Spectrosc. 6 (6), 138 (1961).
2. C. Weiss, H. Kobayashi, and M. Gouterman, J. Mol. Spectrosc. 16, 415 (1965).
3. G. P. Gurinovich, A. N. Sevchenko, and K. N. Solov'ev, Spectroscopy of Chlorophyll and Related Compounds (Nauka i Tekhnika, Minsk, 1968) [in Russian].
4. S. J. Chartrell, C. A. McAuliffe, R. W. Munn, and A. C. Pratt, Coord. Chem. Rev. 16 (4), 259 (1975).
5. V. G. Maslov, Teor. Eksp. Khim. 20 (3), 288 (1984).
6. M. Zerner and M. Gouterman, Theor. Chim. Acta 4 (1), 45 (1966).
7. A. M. Shaffer, M. Gouterman, and E. Davidson, Theor. Chim. Acta 30(1), 9 (1973).
8. V. G. Maslov, Teor. Eksp. Khim. 26 (6), 651 (1990).
9. V. G. Maslov, Teor. Eksp. Khim. 27 (2), 144 (1991).
10. M. E. Casida, in Recent Advances in Density Functional Methods, Ed. by D. P. Chong (World Sci., Singapore, 1995), Part I, p. 155.
11. K. A. Nguyen and R. Pachter, J. Chem. Phys. 114, 10757 (2001).
12. V. G. Maslov, Opt. Spektrosk. 101 (6), 917 (2006)
13. [Opt. Spectrosc. 101 (6), 862 (2006)].
14. J. Kong, C. A. White, A. I. Krylov, et al., J. Comput. Chem. 21, 1532 (2000).
15. D. Eastwood and M. Gouterman, J. Mol. Spectrosc. 30 (3), 437 (1969).
16. M. J. Stillman and A. J. Thompson, J. Chem. Soc. Faraday Trans. n 70 (5), 790 (1974).
17. A. B. P. Lever, S. R. Pickens, P. C. Minor, et al., J. Am. Chem. Soc. 103 (23), 6800 (1981).