Lasing action in a family of perylene derivatives: Singlet absorption and emission spectra, triplet absorption and oxygen quenching constants, and molecular mechanics and semiempirical molecular orbital calcuations
- State Univ. of New Jersey, New Brunswick, NJ (United States); and others
The authors present experimental and computational determination of the excited-state properties in several perylene dyestuffs that are potential candidates for use as laser dyes. Attention is focused on the following species derived from 3,4,9,10-perylenetetracarboxylic acid dianhydride: the bis ((2,6-dimethylphenyl)imide) (1b, DXP); the bis(methylimide) (1c, DMP); both 1,6,7,12-tetrachloro- (1d, Cl{sub 4}DMP) and 1,2,5,6,7,8,11,12-octachloro- (1e, Cl{sub 8}DMP) derivatives. Soluble derivatives of seven-ringed or larger aromatic systems are produced by the introduction of relatively rigid out-of-plane substituents that prevent intermolecular close packing. Chiral distortions in ring-chlorinated perylene derivatives significantly alter the shape of the absorption bands, a consequence of symmetry breaking. Triplet-triplet absorptions and oxygen-quenching rates are observed under the conditions found in a dye laser cavity. Semiempirical molecular orbital calculations (INDO/S) provide detailed mapping of the singlet and triplet excited state manifolds of DMP, Cl{sub 4}DMP, and Cl{sub 8}DMP. Computed transition energies and intensities are used in the interpretation of the spectral features, in particular the observed T{sub 1} {yields} T{sub n} and potential S{sub 1} {yields} S{sub n} absorptions. The authors conclude the perylene-3,4,9,10-tetracarboxylic acid diimide chromophores may be solubilized and utilized in laser materials exhibiting superior performance in terms of power output, tuning range, and light stability. 42 refs., 5 figs., 7 tabs.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 554913
- Journal Information:
- Journal of Physical Chemistry, Vol. 96, Issue 20; Other Information: PBD: 1 Oct 1992
- Country of Publication:
- United States
- Language:
- English
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