Dimers of triarylpyrylium salts: Geometry and electronic transitions

Journal of Physical Chemistry A

Volumn 101, Issue 1, 1997, Pages 90-97

  Lampre, Isabelle ^a   Markovitsi, Dimitra ^a   Millié, Philippe ^b  

^a CNRS   (France)

^b Centre d Etudes Nucléaires de Saclay   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRONIC STRUCTURE; EXCITONS; GEOMETRY; IONS; MOLECULAR STRUCTURE; NONLINEAR OPTICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; RELAXATION PROCESSES;

ATOMIC CHARGE DISTRIBUTION; EXCITON THEORY; MOLECULAR LEVEL; QUANTUM CHEMISTRY; TRIARYLPYRYLIUM DIMER;

ELECTRON TRANSITIONS;

EID: 0031546327     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962066f     Document Type: Article

References (35)

1. Graves, R. E.; Rose, P. I. J. Phys. Chem. 1975, 79, 746.
2. Hamada, K.; Take, S.; Iijima, T.; Amiya, S. J. Chem. Soc., Faraday Trans. 1 1986, 82, 3141.
3. Ishchenko, A. A.; Vasilenko, N. P.; Maidannik, A. G.; Balina, L. V. Dokl. Akad. Nauk. Ukr. SSR, Ser. B 1988, 2, 46.
4. Lopez Arbeloa, I.; Ruiz Ojeda, P. Chem. Phys. Lett. 1982, 87, 556.
5. Sundström, V.; Gillbro, T. J. Chem. Phys. 1985, 83, 2733.
6. Rohatgi-Mukherjee, K. K. Indian J. Chem. 1992, 31A, 500.
7. Kasha, M.; Rawls, H. R.; Ashraf El-Bayoumi, M. Pure Appl. Chem. 1965, 11, 371.
8. Nüesch, F.; Grätzel, M. Chem. Phys. 1995, 193, 1.
9. Markovitsi, D.; Jallabert, C.; Strzelecka, H.; Veber, M. J. Chem. Soc., Faraday Trans. 1990, 86, 2819.
10. Lampre, I.; Markovitsi, D.; Birlirakis, N.; Veber, M. Chem. Phys. 1996, 202, 107.
11. Lampre, I.; Markovitsi, D.; Fiorini, C.; Charra, F.; Veber, M. J. Phys. Chem. 1996, 100, 10701.
12. Markovitsi, D.; Sigal, H.; Ecoffet, C.; Millié, P.; Charra, F.; Fiorini, C.; Nunzi, J. M.; Strzelecka, H.; Veber, M.; Jallabert, C. Chem. Phys. 1994, 182, 69.
13. Claverie, P. Intermolecular Interactions: from Diatomics to Biopolymers; Pullman, B., Ed.; Wiley: New York, 1978.
14. Hess, O.; Caffarel, M.; Langlet, J.; Caillet, J.; Huiszoon, C.; Claverie, P. Proceedings of the 44th International Meeting of Physical Chemistry on Modelling of Molecular Structures and Properties in Physical Chemistry and Biophysics; Rivail, J. L., Ed.; Elsevier: Amsterdam, 1990.
15. Brenner, V.; Martrenchard, S.; Millié, P.; Jouvet, C.; Lardeux-Dedonder, C.; Solgadi, D. Chem. Phys. 1992, 162, 303.
16. Brenner, V.; Zehnacker, A.; Lahmani, F.; Millié, P. J. Phys. Chem. 1993, 97, 10570.
17. Liotard, D. A. Int. J. Quantum Chem. 1992, 44, 723.
18. Lampre, I.; Markovitsi, D. Unpublished results.
19. Flannery, B. P.; Terkolsky, S. A.; Weiterling, W. T. Numerical Recipes; the Art of Scientific Computing; Cambridge University Press: Cambridge, 1986.
20. Momicchioli, F.; Baraldi, I.; Bruni, M. C. Chem. Phys. 1983, 82, 229.
21. Marguet, S.; Mialocq, J. C.; Millié, P.; Berthier, G.; Momicchioli, F. Chem. Phys. 1992, 160, 265.
22. Allen, F. H.; Kennar, O.; Watson, D. G.; Branner, L.; Orpen, A. G.; Taylor, R. J. Chem. Soc., Perkin Trans. 2 1987, 12, S1.
23. Le Fevre, R. J. W. Advances in Physical Organic Chemistry; Academic Press: New York, 1965; Vol. III.
24. Dupuis, M.; Rys, J.; King, W. F. J. Chem. Phys. 1976, 65, 111 (Program 338, QCPE, Chemistry Department, University of Bloomington, IN).
25. Ecoffet, C.; Markovitsi, D.; Millié, P.; Jallabert, C.; Strzelecka, H.; Veber, M. J. Chem. Soc., Faraday Trans. 1993, 89, 457.
26. Rohatgi, K. K.; Singhal, G. S. J. Phys. Chem. 1966, 70, 1695.
27. Mukherjee, P.; Ghosh, A. K. J. Am. Chem. Soc. 1970, 92, 6419.
28. Lopez Arbeloa, F.; Llona Gonzalez, I.; Ruiz Ojeda, P.; Lopez Arbeloa, I. J. Chem. Soc., Faraday Trans. 2 1982, 78, 989.
29. Ecoffet, C.; Markovitsi, D.; Millié, P.; Lemaistre, J. P. Chem. Phys. 1993, 177, 629.
30. 9 Therefore, the moment and anisotropy values deduced for the |0〉 → |4〉 transition are less reliable than those of the other three transitions.
31. Gal, M. E.; Kelly, G. R.; Kurucsev, T. J. Chem. Soc., Faraday Trans. 2 1973, 69, 395.
32. Bojarski, C.; Obermueller, G. Acta Phys. Pol. 1977, A52, 431.
33. Markovitsi, D.; Germain, A.; Millié, P.; Lécuyer, P.; Gallos, L.; Argyrakis, P.; Bengs, H.; Ringsdorf, H. J. Phys. Chem. 1995, 99, 1005.
34. Valeur, B.; Weber, G. Photochem. Photobiol. 1977, 25, 441.
35. Verschuere, B.; Van der Auweraer, M.; De Schryver, F. C. Chem. Phys. 1991, 149, 385.