Spectroscopy and Photophysics of Monoazaphenanthrenes II. Ab initio Analysis of Molecular Parameters and Electronic Spectra

Acta Physica Polonica A

Volumn 104, Issue 6, 2003, Pages 601-613

  Deperasinska I ^a   Prochorow, J ^a  

^a INSTITUTE OF PHYSICS   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; ELECTRON ENERGY LEVELS; ELECTRONS; FLUORESCENCE; GROUND STATE; MOLECULAR STRUCTURE; ORGANIC ACIDS; OSCILLATIONS; PHASE TRANSITIONS; X RAYS;

ELECTRONIC SPECTRA; MOLECULAR PARAMETERS;

AROMATIC COMPOUNDS;

EID: 0347130925     PISSN: 05874246     EISSN: None     Source Type: Journal    
DOI: 10.12693/APhysPolA.104.601     Document Type: Article

References (26)

1. M. Klessinger, J. Michl, Excited States and Photochemistry of Organic Molecules, VCH Publishers, Inc. New York 1995, pp. 18, 73, 93.
2. V.I. Minkin, Pure Appl. Chem. 71, 1919 (1999).
3. M. Cyrański, T.M. Kygowski, Tetrahedron 52, 13795 (1996).
4. J. Prochorow, I. Deperasiska, O. Morawski, Chem. Phys. Lett. 316, 24 (2000).
5. J. Prochorow, I. Deperasińska, O. Morawski, J. Mol Struct. 555, 97 (2000).
6. C.J. Marzzacco, G. Deckey, R. Colarulli, G. Siuzdak, A.M. Halpern, J. Phys. Chem. 93, 2935 (1989).
7. I. Janic, A. Kawski, Bull. Acad. Pol. Sci., Ser. sci. mat. astr. phyc. XX, 235, 519 (1972).
8. R. Dabestani, I.N. Ivanov, Photochem. Photobiol. 70, 10 (1999).
9. L.D. Betowski, M. Enlow, L. Riddick, Comput. Chem. 26, 371 (2002).
10. F. Salama, C. Joblin, L.J. Allamandola, J. Chem. Phys. 101, 10252 (1994).
11. A.L Mattioda, D.M. Hudgins, C.W. Bauschlicher, Jr., M. Rosi, L.J. Allamandola, J. Phys. Chem. A 107, 1486 (2003).
12. http://webbook.nist.gov/chemistry/form-ser.html.
13. R. Kiralj, B. Kojic-Prodic, M. Zinic, S. Alhodzic, N. Trinajstyc, Acta Crystallogr. B 52, 823 (1996).
14. N.S. Hush, A.S. Cheung, P.R. Hilton, J. Electron Spectrosc. Relat. Phenom. 7, 385 (1975).
15. M. Norek, J. Dresner, J. Prochorow, Acta Phys. Pol. A 104, 425 (2003).
16. E. Cane, A. Miani, P. Palmieri, R. Tarroni, A. Trombetti, Spectrochim. Acta A 53, 1839 (1997).
17. S.R. Langhoff, J. Phys. Chem. 100, 2819 (1996).
18. J.M.L. Martin, J. El-Yazi, J.-P, Francois, J. Phys. Chem. 100, 15358 (1996).
19. I. Bandyopadhyay, S. Manogaran, J. Mol Struct. (Theochem) 496, 107 (2000).
20. K. Nishimoto, Internet Electronic Journal of Molecular Design 1, 572 (2002).
21. M. Parac, S. Grimme, Chem. Phys. 292, 11 (2003).
22. Gaussian 98, Revision A. 9, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh (PA) 1998.
23. N. Thantu, P.M. Weber, Chem. Phys. Lett. 214, 276 (1993).
24. E.C.M. Chen, W.E. Wentworth, Mol Cryst. Liq. Cryst. 171, 271 (1989).
25. F. Negri, M. Zgierski, J. Chem. Phys. 104, 3486 (1996).
26. http://srdata.nist.gov/cccbdb/Default.htm