Abstract
The electronic transitions and photodissociation of the bromine molecule were studied in the visible-near UV continuum using dynamic simulation. The molar extinction coefficients in this study were obtained in numerical calculations. The quantum yields of the spin-orbit Br*(2 P 1/2) product at different photon frequencies were determined. Time-dependent density functional theory was used to analyze the highest five occupied and lowest five unoccupied Br2 orbitals. The transition to the 1Π u state was found to be most probable in the visible-near UV absorption range.
Similar content being viewed by others
References
H. Kono and Y. Fujimura, Chem. Phys. Lett. 184, 497 (1991).
H. Dietz and V. Engel, Chem. Phys. Lett. 255, 258 (1996).
M. Shapiro, M. J. J. Vrakking, and A. Stolow, J. Chem. Phys. 110, 2465 (1999).
N. Gador, H. O. Karlsson, and T. Hansson, Phys. Rev. A: At., Mol., Opt. Phys. 70, 033418 (2004).
A. S. Bracker, E. R. Wouters, A. G. Suits, and O. S. Vasyutinskii, J. Chem. Phys. 110, 6749 (1999).
A. J. Alexander, Z. H. Kim, S. A. Kandel, et al., J. Chem. Phys. 113, 9022 (2000).
M. J. Bass, M. Brouard, A. P. Clark, et al., Phys. Chem. Chem. Phys. 5, 856 (2003).
T. P. Rakitzis and T. N. Kitsopoulos, J. Chem. Phys. 116, 9228 (2002).
P. M. Regan, D. Ascenzi, A. Brown, et al., J. Chem. Phys. 112, 10259 (2000).
K. Andersson, M. P. Fulscher, R. Lindh, et al., MOLCAS version 5.4 (University of Lund, Lund, Sweden, 2000).
Z. Barandiaran and L. Sijo, Can. J. Chem. 70, 409 (1992).
K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
A. A. Passchier, J. D. Christian, and N. W. Gregory, J. Phys. Chem. 71, 937 (1967).
H. K. Haugen, E. Weitz, and S. R. Leone, J. Chem. Phys. 83, 3402 (1985).
J. A. Coxon, J. Mol. Spectrosc. 37, 39 (1971).
R. J. Oldman, R. K. Sander, and K. R. Wilson, J. Chem. Phys. 63, 4252 (1975).
T. G. Lindeman and J. R. Wiesenfeld, J. Chem. Phys. 70, 2882 (1979).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 98, Revision A.3 (Gaussian, Inc., Pittsburgh, PA, 1998).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Zhang, D. Investigations of electronic transitions and photodissociation of the bromine molecule. Russ. J. Phys. Chem. 82, 2299–2304 (2008). https://doi.org/10.1134/S0036024408130232
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S0036024408130232