Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered

Journal of Physical Chemistry A

Volumn 111, Issue 32, 2007, Pages 8013-8019

  De Vico, Luca ^a   Liu, Ya Jun ^b   Krogh, Jesper Wisborg ^a   Lindh, Roland ^a  

^a LUND UNIVERSITY   (Sweden)

^b BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMILUMINESCENT REACTIONS; ENTROPY TRAPPING; SECOND-ORDER PERTURBATION;

ACTIVATION ENERGY; CHEMILUMINESCENCE; PYROLYSIS; REACTION KINETICS; SUBSTITUTION REACTIONS;

ORGANIC COMPOUNDS;

1,2 DIOXETANE; 1,2-DIOXETANE; HETEROCYCLIC COMPOUND; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; HEAT; LUMINESCENCE; THEORETICAL MODEL;

HEAT; HETEROCYCLIC COMPOUNDS; LUMINESCENCE; MODELS, CHEMICAL; MODELS, THEORETICAL;

EID: 34548294633     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp074063g     Document Type: Article

References (34)

1. Braslavsky, S. E.; Houk, K. N.; Verhoeven, J. W. Pure Appl. Chem. 1996, 68, 2223-2286.
2. Kaplan, N. P.; Colowick, N. P.; DeLuca, M. A., Eds. Bioluminescence and Chemiluminescence; Academic Press: New York, 1978; Vol. 57.
3. Adam, W., Cilento, G., Eds. Chemical and Biological Generation of Excited States; Academic Press: New York, 1982; Vol. 25.
4. Adam, W.; Trofimov, A. V. In The Chemistry of Functional Groups, Peroxides; Rappoport, Z., Ed.; John Wiley & Sons: New York, 2005; Vol. 2, pp 1171-1210 (for a review on recent developments on dioxetane chemistry and references therein for a list of reviews onto the historical development of research in this field).
5. Adam, W.; Baader, W. J. J. Am. Chem. Soc. 1985, 107, 410-416.
6. Wilson, T.; Schaap, A. P. J. Am. Chem. Soc. 1971, 93, 4126-4136.
7. Steinmetzer, H.-C.; Yekta, A.; Turro, N. J. J. Am. Chem. Soc 1974, 96, 282-284.
8. Turro, N. J.; Lechtken, P. J. Am. Chem. Soc. 1973, 95, 264-266.
9. Murphy, S.; Adam, W. J. Am. Chem. Soc 1996, 118, 12916-12921.
10. Pedersen, S.; Herek, J. L.; Zewail, A. H. Science 1994, 266, 1359-1364.
11. Polanyi, J. C.; Zewail, A. H. Acc. Chem. Res. 1995, 28, 119-132.
12. Moriarty, N. W.; Lindh, R.; Karlström, G. Chem. Phys. Lett. 1998, 289, 442-450.
13. De Feyter, S.; Diau, E. W.-G.; Scala, A. A.; Zewail, A. H. Chem. Phys. Lett. 1999, 303, 249-260.
14. Wilsey, S.; Bernardi, F.; Olivucci, M.; Robb, M. A.; Murphy, S.; Adam, W. J. Phys. Chem. A 1999, 103, 1669-1677.
15. Tanaka, C.; Tanaka, J. J. Phys. Chem. A 2000, 104, 2078-2090.
16. Bastos, E. L.; Baader, W. J. ARKIVOC (Gainesville, FL, U.S.) 2007, 8, 257-272.
17. Roos, B. O. In Ab Initio Methods in Quantum Chemistry-II; Lawley, K. P., Ed.; Advances in Chemical Physics; John Wiley & Sons: New York, 1987; Vol. 69, pp 399-446.
18. Roos, B. O.; Lindh, R.; Malmqvist, P.-Å.; Veryazov, V.; Widmark, P.-O. J. Phys. Chem. A 2004, 108, 2851-2858.
19. De Vico, L.; Olivucci, M.; Lindh, R. J. Chem. Theory Comput. 2005, 7, 1029-1037.
20. Finley, J.; Malmqvist, P.-Å.; Roos, B. O.; Serrano-Andrés, L. Chem. Phys. Lett. 1998, 288, 299-306.
21. Forsberg, N.; Malmqvist, P.-Å. Chem. Phys. Lett. 1997, 274, 196-204.
22. Ghigo, G.; Roos, B. O.; Malmqvist, P.-Å. Chem. Phys. Lett. 2004, 396, 142-149.
23. Andersson, K.; et al. MOLCAS, Version 6.3; Lund University: Lund, Sweden, 2004.
24. Veryazov, V.; Widmark, P.-O.; Serrano-Andrés, L.; Lindh, R.; Roos, B. O. Int. J. Quantum Chem. 2004, 100, 626-635.
25. Merchán, M.; Serrano-Andrés, L. In Computational Photochemistry; Olivucci, M., Ed.; Elsevier: Amsterdam, 2005; pp 35-91.
26. Atchity, G. J.; Xantheas, S. S.; Ruedenberg, K. J. Chem. Phys. 1991, 95, 1862-1876.
27. Bruna, P. J.; Hachey, M. R. J.; Grein, F. J. Phys. Chem. 1995, 99, 16576-16585.
28. Hachey, M. R. J.; Bruna, P. J.; Grein, F. J. Phys. Chem. 1995, 99, 8050-8057.
29. Merchán, M.; Roos, B. Theor. Chim. Acta 1995, 92, 227-239.
30. Staley, R. H.; Harding, L. B.; Goddard, W. A., III; Beauchamp, J. L. Chem. Phys. Lett. 1975, 36, 589-593.
31. Clouthier, D. J.; Ramsay, D. A. Ann. Rev. Phys. Chem. 1983, 34, 31-58.
32. Walzl, K. N.; Koerting, C. F.; Kuppermann, A. J. Chem. Phys. 1987, 87, 3796-3803.
33. O'Neal, H. E.; Richardson, W. H. J. Am. Chem. Soc. 1970, 2, 6553-6557.
34. O'Neal, H. E.; Richardson, W. H. J. Am. Chem. Soc. 1971, 93, 1828.