Electric polarization effects on the electronic spectral shift of centrosymmetric compounds

Chemical Physics

Volumn 300, Issue 1-3, 2004, Pages 267-275

  Togashi, Denisio M ^a   Costa, Sílvia M B ^a   Sobral, Abílio J F N ^b   Gonsalves, A M D'A R ^b  

^a INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

Dielectric; Polarization; Quadrupole moment; Reaction field; Solvatochromism

Indexed keywords

9,10 DICYANOANTHRACENE; ANTHRACENE DERIVATIVE; PORPHYRIN DERIVATIVE; SULFONAMIDE; UNCLASSIFIED DRUG; ZINC DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CHEMICAL PARAMETERS; CHEMICAL REACTION; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; DIELECTRIC CONSTANT; ELECTRIC POTENTIAL; MOLECULAR INTERACTION; MOLECULAR MODEL; POLARIZATION; SPECTRAL SENSITIVITY;

EID: 1842558828     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.02.009     Document Type: Article

References (38)

1. Mataga N., Kubota T. Molecular Interaction and Electronic Spectra. 1970;Marcel Dekker, New York.
2. Amos A.T., Burrows B.L. Adv. Quantum Chem. 7:1973;289.
3. Cramer C.J., Truhlar D.G. Chem. Rev. 99:1999;2161.
4. Tomasi J., Persico M. Chem. Rev. 94:1994;2027.
5. Suppan P., Ghoneim N. Solvatochromism. 1997;Royal Society of Chemistry, Cambridge, UK.
6. Onsager L. J. Am. Chem. Soc. 58:1936;1486.
7. Bayliss N.S. J. Chem. Phys. 18:1950;292.
8. Ooshika Y. J. Phys. Soc. Jpn. 9:1954;594.
9. McRae E.G. J. Phys. Chem. 61:1957;562.
10. Renge I. Chem. Phys. Lett. 185:1991;231.
11. Abraham R.J., Cavalli L., Pachler K.G.R. Mol. Phys. 11:1966;471.
12. Došen-Mićović L., Žigman V. J. Chem. Soc., Perkin Trans. II:1985;625.
13. Taniguchi Y., Takaya H., Wong P.T.T., Whalley E. J. Chem. Phys. 75:1981;4815.
14. Viseu T.M.R., Hungerford G., Coelho A.F., Ferreira M.I.C. J. Phys. Chem. B. 107:2003;13300.
15. Laia C.A.T., Costa S.M.B. Phys. Chem. Chem. Phys. 1:1999;4409.
16. Tatikolov A.S., Costa S.M.B. J. Photochem. Photobiol. A. 140:2001;147.
17. Gallagher S.H., Armstrong R.S., Lay P.A., Reed C.A. J. Phys. Chem. 99:1995;5817.
18. Rivail J.L., Rinaldi D. Chem. Phys. 18:1976;233.
19. Mikkelsen K.V., Cesar A., Ågren H., Jøgen A.J. J. Chem. Phys. 103:1995;9010.
20. Došen-Mićović L., Jeremić D., Allinger N.L. J. Am. Chem. Soc. 105:1983;1716.
21. Strehmel B., Sarker A.M., Detert H. Chemphyschem. 4:2003;249.
22. Ghoneim N., Suppan P. Spectrochim. Acta, Part A. 51:1995;1043.
23. Aguilar M.A. J. Phys. Chem. A. 105:2001;10393.
24. Kim H.J., Hynes J.T. J. Chem. Phys. 93:1990;5194.
25. Kim H.J. J. Chem. Phys. 105:1996;6818.
26. Olea A.F., Worrall D.R., Wilkinson F., Williams S.L., Abdel-Shafi A.A. Phys. Chem. Chem. Phys. 4:2002;161.
27. Böttcher C.J.F. Theory of Electric Polarization. 1973;Elsevier, Amsterdam.
28. Newton M.D., Friedman H.L. J. Chem. Phys. 88:1988;4460.
29. Lide D.R. Handbook of Chemistry and Physics. 72nd ed. 1991;CRC Press, Boca-Raton, Boston.
30. Murov S.L., Carmichael I., Hug G.L. Handbook of Photochemistry. second ed. 1993;Marcel Dekker, New York.
31. Hudson A.J., Richardson T., Thirtle J.P., Roberts G., Johnstone R.A.W., Sobral A.J.F.N. Mol. Cryst. Liq. Cryst. 235:1993;103.
32. Renge I., Mölder U., Koppel I. Spectrochim. Acta, Part A. 41:1985;967.
33. Even U., Magen J., Jortner J., Friedman J., Levanon H. J. Chem. Phys. 77:1982;4374.
34. Meot-Ner M., Adler A.D. J. Am. Chem. Soc. 97:1975;5107.
35. Plucknett W.K., Woods H.P. J. Phys. Chem. 67:1963;271.
36. Rajeswaran M., Blanton T.N., Zumbulyadis N., Giesen D.J., Conesa-Moratilla C., Misture S.T., Stephens P.W., Huq A. J. Am. Chem. Soc. 124:2002;14450.
37. Ghosh A. J. Am. Chem. Soc. 117:1995;4691.
38. The Onsager cavity was obtained from the molecular model ACD/ChemSketch Version 5.12 (2002), Calculating the molar volumes. The radii of TPP, TASPP and TDASPP are 5.8 Å, 6.2 Å and 8.2 Å, respectively.