TY - JOUR
T1 - The role of intermolecular interactions on the optical and charge-transfer properties of conjugated polymers
AU - Cornil, J.
AU - Dos Santos, D. A.
AU - Silbey, R.
AU - Brédas, J. L.
N1 - Funding Information: ‘Thts work is partly supported by the Belgian Federal Governement of Science Policy “P81e d’Anract~on lnterunwersimire en Chimie Supamolecuiaire er Caralyse”, the Belgian National Fund for Scienttfic Research (FNRS-FWC). the Comm~ssmn of the European Union (support under Bnre-Euram Contract BRPR-CT97-0449 ‘OSCA’I and an IBM Academic Joint Study IC is an FNRS research fellow The work ar MIT was panly supponed by a National Science Foundation grant LO the Center for Materials Science. We acknowledge stimulating discussions wirhProf. A I Heeger, Prof. R.H. Friend, and Dr i.l.bt. Halls.
PY - 1999
Y1 - 1999
N2 - We investigate by means of quantum-chemical calculations the influence of intermolecular interactions on the properties of conjugated chains. We first focus on the optical absorption and emission of clusters formed by identical poly(paraphenylene vinylene), PPV, oligomers; we address the role played by the relaxation effects in the lowest excited state as well as the number and relative orientations of the interacting units. Several strategies are suggested that can be developed to avoid a substantial decrease in luminescence quantum yield in the solid state. In a second part, we illustrate by means of a simple theoretical model that charge or energy transfer can take place at the interface between two different PPV derivatives, depending on the nature of the substituents grafted on the PPV backbone.
AB - We investigate by means of quantum-chemical calculations the influence of intermolecular interactions on the properties of conjugated chains. We first focus on the optical absorption and emission of clusters formed by identical poly(paraphenylene vinylene), PPV, oligomers; we address the role played by the relaxation effects in the lowest excited state as well as the number and relative orientations of the interacting units. Several strategies are suggested that can be developed to avoid a substantial decrease in luminescence quantum yield in the solid state. In a second part, we illustrate by means of a simple theoretical model that charge or energy transfer can take place at the interface between two different PPV derivatives, depending on the nature of the substituents grafted on the PPV backbone.
KW - Optical absorption and emission spectroscopy
KW - Opto-electronic devices
KW - Poly(phenylene vinylene) and derivatives
KW - Semi-empirical models and model calculations
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U2 - 10.1016/s0379-6779(98)00226-4
DO - 10.1016/s0379-6779(98)00226-4
M3 - Conference article
SN - 0379-6779
VL - 101
SP - 492
EP - 495
JO - Synthetic Metals
JF - Synthetic Metals
IS - 1-3
T2 - Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98)
Y2 - 12 July 1998 through 18 July 1998
ER -