Spin-orbit coupling in keto-porphyrins

Chemical Physics Letters

Volumn 458, Issue 1-3, 2008, Pages 190-194

  Kleinschmidt, Martin ^a   Marian, Christel M ^a  

^a HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; EXCITED STATES; GROUND STATE; KETONES; MOLECULAR ORBITALS;

LOW LYING EXCITED ELECTRONIC STATES; SPIN ORBIT COUPLING;

PORPHYRINS;

EID: 44449097162     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.04.090     Document Type: Article

References (23)

1. Jasinski S., Ermilov E.A., Jux N., and Röder B. Eur. J. Org. Chem. (2007) 1075
2. Fritsch C., Goerz G., and Ruzicka T. Arch. Dermatol. 134 (1998) 207
3. Nyman E.S., and Hynninen P.H. J. Photochem. Photobiol. B 73 (2004) 1
4. Schweitzer C., and Schmidt R. Chem. Rev. 103 (2003) 1685
5. Kleinschmidt M., and Marian C.M. Chem. Phys. 311 (2005) 71
6. Kleinschmidt M., Tatchen J., and Marian C.M. J. Chem. Phys. 124 (2006) 124101
7. Loboda O., Tunnell I., Minaev B., and Ågren H. Chem. Phys. 312 (2005) 299
8. Perun S., Tatchen J., and Marian C.M. ChemPhysChem 9 (2008) 282
9. R. Ahlrichs et al., Turbomole (vers. 5.7), Universität Karlsruhe, 2004.
10. Parusel A., and Grimme S. J. Porphyrins Phthalocyanines 5 (2001) 1
11. Becke A.D. J. Chem. Phys. 98 (1993) 5648
12. Stephens P.J., Devlin F.J., Chabalowski C.F., and Frisch M.J. J. Phys. Chem. 98 (1994) 11623
13. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
14. Furche F., and Ahlrichs R. J. Chem. Phys. 117 (2002) 7433
15. Grimme S., and Waletzke M. J. Chem. Phys. 111 (1999) 5645
16. Kleinschmidt M., Tatchen J., and Marian C.M. J. Comp. Chem. 23 (2002) 824
17. Heß B.A., Marian C.M., Wahlgren U., and Gropen O. Chem. Phys. Lett. 251 (1996) 365
18. Amfi is an atomic spin-orbit integral program written by B. Schimmelpfennig, University of Stockholm, 1996.
19. Gouterman M. J. Mol. Spectrosc. 6 (1961) 138
20. Edwards L., Dolphin D.H., Gouterman M., and Adler A.D. J. Mol. Spectrosc. 38 (1971) 16
21. Schreiber M., Silva-Junior M.R., Thiel W., and Sauer S.P.A. J. Chem. Phys. 128 (2008) 134110
22. Davidson E.R., and Jarzecki A.A. Chem. Phys. Lett. 285 (1998) 155
23. Tatchen J., Gilka N., and Marian C.M. Phys. Chem. Chem. Phys. 9 (2007) 5209