The fluorescence excitation spectra of jet‐cooled 9,10‐dihydroanthracene and dibenzosuberane, in the region of their lowest‐energy absorption band, exhibit two close‐lying electronic origins that can be identified as the two exciton components of the lowest‐energy benzene transition. The measured band positions and intensities of the two exciton components are in good agreement with the results of CNDO/S+CIS calculations based on the optimized QCFF/PI+CIS ground‐state geometry.
REFERENCES
1.
2.
Y.-D.
Shin
, H.
Saigusa
, M. Z.
Zgierski
, F.
Zerbetto
, and E. C.
Lim
, J. Chem. Phys.
94
, 3511
(1991
).3.
4.
GAUSSIAN 92, Revision B, M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople (Gaussian, Inc., Pittsburgh, 1992).
5.
F. H.
Herbstein
, M.
Kapon
and G. M.
Reisner
, Acta. Crystallogr. B
42
, 181
(1986
).6.
7.
A. Warshel and M. Levitt, QCPE No. 247.
8.
A.
Amirav
, C.
Horwitz
, and J.
Jortner
, J. Chem. Phys.
88
, 3092
(1988
).9.
10.
11.
12.
M. Z.
Zgierski
, F.
Zerbetto
, Y.-D.
Shin
, and E. C.
Lim
, J. Chem. Phys.
96
, 7229
(1992
).13.
This content is only available via PDF.
© 1993 American Institute of Physics.
1993
American Institute of Physics
You do not currently have access to this content.
