Transient esr observation of triplet-soliton pairs in a conjugated polymer single crystal

Winter, Michael; Grupp, A.; Mehring, M.; Sixl, H.

doi:10.1016/0009-2614(87)80063-5

Cited by 71 publications

(1 citation statement)

References 8 publications

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“…Subgap two-photon signals have also been observed by Townsend and co-workers. 5 Our relaxed triplet energy of 1.8 eV agrees well with the observation of phosphorescence from triplets at 1.72 eV by Winter et al 16 However, as already discussed in the Introduction, our long chain predictions for the 1 1 B u Ϫ energies disagree by circa 1 eV from Wieser's and coworkers' observations on crystalline PDA. 8 Similarly, our predicted binding energies are considerably larger than the single crystalline results of circa 0.5 eV, observed by both Franz-Keyldish oscillations 8 and photoconductivity.…”

Section: Comparison To Experimental Energiessupporting

confidence: 89%

Density matrix renormalization calculations of the relaxed energies and solitonic structures of polydiacetylene

2003

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The density matrix renormalization group method is applied to the Pariser-Parr-Pople-Peierls model to calculate the energies and associated structures of the low-lying states of polydiacetylene. The extrinsic dimerization of polydiacetylene, arising from the electrons in p y orbitals in the triple bonds, is explicitly calculated. We find the following results. ͑i͒ Electronic interactions result in a twofold increase in the ground state dimerization, and a twofold decrease in the electronic correlation length, . ͑ii͒ The vertical energy of the 2 1 A g ϩ state lies circa. 1 eV above the 1 1 B u Ϫ state in long chains. ͑iii͒ The 1 3 B u ϩ and 2 1 A g ϩ states undergo a sizable electron-lattice relaxation, while this is modest for the 1 1 B u Ϫ state. As a consequence, the relaxed energy of the 2 1 A g ϩ lies circa 0.1 eV below the relaxed energy of the 1 1 B u Ϫ state. ͑iv͒ The reduction in results in a reversal in bond dimerizations in both the 1 3 B u ϩ and 2 1 A g ϩ states ͑in contrast to the noninteracting Peierls model͒. However, the excitonic 1 1 B u Ϫ state shows a polaronic distortion. We compare our results to experiment. For short oligomers the comparisons are very reasonable, but they are less satisfactory for long chains. The inclusion of solvation effects and a reparametrization of the Ohno interaction may both be necessary.

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Section: Comparison To Experimental Energiessupporting

confidence: 89%

Density matrix renormalization calculations of the relaxed energies and solitonic structures of polydiacetylene

2003

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Triplet emission from π‐conjugated polymers

Holdcroft

1994

Advanced Materials

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The triplet state in π‐conjugated polymers is difficult to detect owing to the absence of phosphorescence. However applications of electroluminescence from π‐conjugated polymers have made a detailed understanding of these photophysical and photochemical processes essential. The role of the triplet state in polythiophenes is explored. Experimental evidence for the existence of the triplet state is presented, and its importance for estimates of the electron‐electron Coulombic interaction discussed.

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Classes of CPs: Part 1

Chandrasekhar

1999

Conducting Polymers, Fundamentals and Applications

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Transient esr observation of triplet-soliton pairs in a conjugated polymer single crystal

Cited by 71 publications

References 8 publications

Density matrix renormalization calculations of the relaxed energies and solitonic structures of polydiacetylene

Density matrix renormalization calculations of the relaxed energies and solitonic structures of polydiacetylene

Triplet emission from π‐conjugated polymers

Classes of CPs: Part 1

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