Solvatochromism of a zwitterionic benzimidazole-based pyridinium betaine dye: UV-Vis spectroscopic measurements and quantum-chemical calculations

Journal of Physical Chemistry

Volumn 100, Issue 30, 1996, Pages 12288-12294

  Sworakowski, Juliusz ^a   Lipiński, Józef ^a   Ziółek, Łukasz ^a,c   Palewska, Krystyna ^a   Nešpůpurek, Stanislav ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b INSTITUTE OF MACROMOLECULAR CHEMISTRY   (Czech Republic)

^c Arthur Andersen Polska   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRON ENERGY LEVELS; ORGANIC COMPOUNDS; PHYSICAL CHEMISTRY; QUANTUM MECHANICS; SPECTROSCOPIC ANALYSIS;

CHARGE DISTRIBUTION; DIPOLE MOMENTS; HYPERPOLARIZABILITY; SOLVATOCHROMISM; ZWITTERIONIC PYRIDINIUM BETAINE;

DYES;

EID: 0030197442     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp960184x     Document Type: Article

References (32)

1. Amos, A. T.; Burrows, B. L. In Advances in Quantum Chemistry; Academic Press: New York, 1973; pp 289-313.
2. Reichardt, Ch. Solvents and Solvent Effects in Organic Chemistry VCH: Weinheim, 1988.
3. Liptay, W. In Excited States; Lim, E. C., Ed.; Academic Press: New York, 1974; pp 129-229.
4. Zyss, J., Chemla, D. S., Eds. Nonlinear Optical Properties of Organic Molecules and Crystals; Academic Press: Orlando, FL, 1987.
5. Marder, S. R., Sohn, J. E., Stucky, W. D., Eds. Materials for Nonlinear Optics, Chemical Perspectives; American Chemical Society: Washington, DC. 1991.
6. Dimroth, K.; Reichardt, Ch.; Siepmann, T.; Bohlmann, F. Justus Liebigs Ann. Chem. 1963, 661, 1.
7. Reichardt, Ch. Chem. Rev. 1994, 94, 2319.
8. Alcalde, E.; Dinarés, I.; Elguero, J.; Fayet, J.-P.; Vertut, M.-C.; Miravitlles, C.; Molins, E. J. Org. Chem. 1987, 52, 5009.
9. Ziółek, L.; Palewska, K.; Lipiński, J.; Sworakowski, J.; Nešpurek, S.; Böhm, S.; Meister, E. C. Acta Phys. Pol. A 1995, 88, 283.
10. Böhm, S.; Kubík, R.; Němeček, J.; Kuthan, J. Collect. Czech. Chem. Commun. 1992, 57, 1672.
11. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
12. Lipiński, J. Int. J. Quantum Chem. 1988, 34, 423.
13. Kollman, P. Chem. Rev. 1993, 93, 2395.
14. Davis, M. E.; McCammon, J. A. Chem. Rev. 1990, 90, 509.
15. Tomasi, J.; Persico, M. Chem. Rev. 1994, 94, 2027.
16. Warshel, A. Computer Modeling of Chemical Reactions in Enzymes and Solutions; John Wiley: New York, 1991.
17. Lee, F. S.; Chu, Z. T.; Warshel, A. J. Comput. Chem. 1993, 14, 161.
18. Luzhkov, V.; Warshel, A. J. Am. Chem. Soc. 1991, 113, 4491.
19. Luzhkov, V.; Warshel, A. J. Comput. Chem. 1992, 13, 199.
20. Lipiński, J.; Bartkowiak, W., in preparation.
21. Sokalski, W. A.; Poirier, R. A. Chem. Phys. Lett. 1983, 98, 86.
22. Metropolis, N.; Rosenbluth, A. W.; Rosenbluth, M. N.; Teller, A. H.; Teller, E. J. Chem. Phys. 1953, 21, 1087.
23. Minkin, V. I.; Osipov, O. A.; Zhdanov, J. A. Dipole Moments in Organic Chemistry; Plenum Press: New York, 1970.
24. Vogel, A. I.; Cresswell, W. T.; Jeffrey, G. H.; Leicester, J. J. Chem. Soc. 1952, 514.
25. Koutek, B. Collect. Czech. Chem. Commun. 1978, 43, 2368.
26. Abe, T. Bull. Chem. Soc. Jpn. 1965, 38, 1314.
27. Bilot, L.; Kawski, A. Z. Naturforsch. 1962, 17, 621.
28. Coser Gaudio, A.; Takahata, Y. Comput. Chem. 1992, 16, 277.
29. Pugh, D.; Morley, J. O. Reference 3, Vol. 1, p 193.
30. Bosshard, Ch.; Sutter, K.; Prêtre, Ph.; Hulliger, J.; Flörsheimer, M.; Kaatz, P.; Günter, P. Organic Nonlinear Optical Materials; Gordon & Breach: Basel, 1995.
31. Barrow, G. M. Introduction to Molecular Spectroscopy; McGraw-Hill: New York, 1962.
32. Böttcher, C. J. F. Theory of Electric Polarization; Elsevier: Amsterdam, 1973; Vol. 1.