Intersecting-state model calculations on fast and ultrafast excited-state proton transfers in naphthols and substituted naphthols

Journal of Photochemistry and Photobiology A: Chemistry

Volumn 154, Issue 1, 2002, Pages 13-21

  Barroso, Monica ^a   Arnaut, Luis G ^a   Formosinho, Sebastião J ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

Excited state proton transfer; Intersecting state model; Kinetic isotope effects; Naphthol; Proton transfer rates

Indexed keywords

ALCOHOL; NAPHTHOL DERIVATIVE; WATER;

CALCULATION; CHEMICAL MODEL; CHEMICAL REACTION; CONSTANTS AND COEFFICIENTS; CONTROLLED STUDY; ELECTRICAL PARAMETERS; EXCITATION; PHOTOREACTIVITY; PROTON TRANSPORT; QUANTUM MECHANICS; REVIEW;

EID: 0037021653     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1010-6030(02)00261-7     Document Type: Article

References (29)

1. A.J.C. Varandas, S.J. Formosinho, J. Chem. Soc., Faraday Trans. 2 (82) (1986) 953.
2. L.G. Arnaut, S.J. Formosinho, J. Phys. Chem. 92 (1988) 685.
3. L.G. Arnaut, S.J. Formosinho, J. Photochem. Photobiol. A: Chem. 75 (1993) 1.
4. L.G. Arnaut, A.A.C.C. Pais, S.J. Formosinho, J. Mol. Struct. 563/564 (2001) 1.
5. L.G. Arnaut, A.A.C.C. Pais, S.J. Formosinho, J. Chem. Phys., submitted for publication.
6. R.G. Parr, L.V. Szentpĺy, S. Liu, J. Am. Chem. Soc. 121 (1999) 1922.
7. L.M. Tolbert, K.M. Solntsev, Acc. Chem. Res. 35 (2002) 19.
8. H.S. Johnston, C. Parr, J. Am. Chem. Soc. 85 (1963) 2544.
9. N. Agmon, R.D. Levine, J. Chem. Phys. 71 (1979) 3034.
10. L. Pauling, J. Am. Chem. Soc. 69 (1947) 542.
11. B.C. Garrett, D.G. Truhlar, J. Phys. Chem. 83 (1979) 2921.
12. E. Pines, D. Tepper, B.-Z. Magnes, D. Pines, T. Barak, Ber. Bunsen-Ges. Phys. Chem. 102 (1998) 504.
13. L.M. Tolbert, J.E. Haubrich, J. Am. Chem. Soc. 112 (1990) 8163.
14. L.M. Tolbert, J.E. Haubrich, J. Am. Chem Soc. 116 (1994) 10593.
15. E. Pines, D. Pines, T. Barak, B.-Z. Magnes, L.M. Tolbert, J.E. Haubrich, Ber. Bunsen.-Ges. Phys. Chem. 102 (1998) 511.
16. D. Huppert, L.M. Tolbert, S. Linares-Samaniego, J. Phys. Chem. A 101 (1997) 4602.
17. E.B. Wilson Jr, J. Chem. Phys. 7 (1939) 1047.
18. H.-B. Burgi, J.D. Dunitz, J. Am. Chem. Soc. 109 (1987) 2924.
19. D.A. McQuarrie, Statistical Mechanics, Harper & Row, New York, 1976.
20. E. Grunwald, Prog. Phys. Org. Chem. 17 (1990) 55.
21. Handbook of Chemistry and Physics, 3rd Electronic Edition, CRC Press Inc., 2001.
22. http://webbook.nist.gov/chemistry/
23. S.P. Webb, L.A. Philips, S.W. Yeh, L.M. Tolbert, J.H. Clark, J. Phys. Chem. 90 (1986) 5154.
24. K.M. Solntsev, D. Huppert, N. Agmon, L.M. Tolbert, J. Phys. Chem. A 104 (2000) 4658.
25. B. Cohen, D. Huppert, J. Phys. Chem. A 105 (2001) 2980.
26. I. Carmeli, D. Huppert, L.M. Tolbert, J.E. Haubrich, Chem. Phys. Lett. 260 (1996) 109.
27. B. Cohen, D. Huppert, J. Phys. Chem. A 104 (2000) 2663.
28. E. Pines, B.-Z. Magnes, M.J. Lang, G.R. Fleming, Chem. Phys. Lett. 281 (1997) 413.
29. M. Gutman, E. Nachliel, Biochim. Biophys. Acta 1015 (1990) 391.