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Spatial extent of the singlet and triplet excitons in transition metal-containing poly-ynes.
- Source :
- Journal of Chemical Physics; 9/1/1996, Vol. 105 Issue 9, p3868, 10p
- Publication Year :
- 1996
-
Abstract
- We present a joint experimental and theoretical investigation of the electronic excitations in transition metal-containing phenylene ethynylenes. The influence of the metal on the nature of the lowest singlet and triplet excited states is characterized. We find that π conjugation occurs through the metal sites, which deeply modifies the optical properties of the conjugated chains. We also analyze the chain-length dependence of the singlet–singlet, S0→S1, singlet–triplet, S0→T1, and triplet–triplet, T1→Tn, transition energies; both experimental data and theoretical results indicate that the lowest triplet exciton, T1, is strongly localized on a single phenylene ring while the S1 and Tn states extend over a few repeating units. Finally, we estimate the geometric relaxation phenomena occurring in the lowest excited states and perform a Huang–Rhys analysis of the triplet emission spectrum in model systems. © 1996 American Institute of Physics. [ABSTRACT FROM AUTHOR]
- Subjects :
- EXCITON theory
TRANSITION metals
ELECTRONIC excitation
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 105
- Issue :
- 9
- Database :
- Complementary Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7647343
- Full Text :
- https://doi.org/10.1063/1.472207