What Determines Inhomogeneous Broadening of Electronic Transitions in Conjugated Polymers?

2010 ◽  
Vol 114 (51) ◽  
pp. 17037-17048 ◽  
Author(s):  
Sebastian T. Hoffmann ◽  
Heinz Bässler ◽  
Anna Köhler
Keyword(s):  
Conjugated Polymers ◽  
Inhomogeneous Broadening ◽  
Electronic Transitions

scholarly journals Delocalisation softens polaron electronic transitions and vibrational modes in conjugated polymers

2018 ◽  
Vol 6 (22) ◽  
pp. 6008-6013 ◽  
Author(s):  
Simon Kahmann ◽  
Maria A. Loi ◽  
Christoph J. Brabec
Keyword(s):  
Conjugated Polymers ◽  
Spectral Region ◽  
Optical Transition ◽  
Electronic Transitions ◽  
Vibrational Modes ◽  
Transition Energies ◽  
Infrared Spectral Region ◽  
Infrared Spectral

The delocalisation of polarons in conjugated polymers strongly impacts on optical transition energies in the infrared spectral region.

Anomalous Inhomogeneous Broadening of Electronic Spectra of Molecules with Internal Charge Transfer

2003 ◽  
Vol 58 (9-10) ◽  
pp. 529-536 ◽  
Author(s):  
V. I. Tomin ◽  
K. Hubisz ◽  
Z. Mudryka
Keyword(s):  
Charge Transfer ◽  
Excited States ◽  
Electronic Spectra ◽  
Inhomogeneous Broadening ◽  
Electronic Transitions ◽  
Polar Solvents ◽  
Internal Charge Transfer ◽  
Internal Charge

Excited states with internal charge transfer of some molecules show an anomalously strong inhomogeneous broadening of their electronic spectra. Here such an inhomogeneous broadening for N, N-dimethylaminobenzonithrile (DMABN) was studied. The spectral inhomogeneity for DMABN in some polar solvents reaches 140 - 150 nm.The interpretation of the obtained results is based on treating a solution as a set of chemically identical solvates with a luminophor molecule in the centre, having different energies of the pure electronic transitions. The inhomogeneity arises due to an intermolecular effect of the luminophors environment on its spectra in polar solvents, as well as a process of intramolecular movement of the twisting fragments relative to the main moiety of DMABN.

CHARGE TRANSPORT AND LIGHT ABSORPTION IN CONJUGATED SYSTEMS FROM EXTENDED HÜCKEL METHOD AND MARCUS THEORY

2012 ◽  
Vol 01 (02) ◽  
pp. 1250020
Author(s):  
TRAN THINH TO ◽  
STEFAN ADAMS
Keyword(s):  
Conjugated Polymers ◽  
Charge Transport ◽  
Absorption Spectra ◽  
Light Absorption ◽  
Density Functional ◽  
Transport Theory ◽  
Electronic Energy ◽  
Electronic Transitions ◽  
Absorption Mechanism ◽  
Extended Hückel

A simple first principle model was developed based on extended Hückel-type orbital calculation, Marcus electron transport theory and two-dimensional-electron-gas model for the treatment of charge transport in conjugated polymers. Though simple and easy to compute, the effect of the applied electric-field is factored in. Based on this, a complete one-dimensional device model with a single layer of conjugated polymer sandwiched between two electrodes was developed with poly(3-hexylthiophene) (P3HT) as a case study. Simulated J-V curves show that π-π charge transport is much more pronounced than intra-chain transport, hence agree with previous findings. Using the same framework, we also calculated the absorption spectra of P3HT by considering the electronic energy barrier for electronic transitions that would satisfy Franck–Condon principle. Absorption spectra closely harmonize to experimental UV-Vis result. The model also reveals intra-chain electronic transitions to be the dominant absorption mechanism. All parameters of the model are obtained from either ab-initio Density Functional Theory (DFT) or Molecular Dynamics (MD) calculations, so that this model is capable of predicting charge transport and light absorption properties of new conjugated polymers without introducing fit parameters.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

3d-4s and 3d-4p electronic transitions in M2+ : NaF AND M2+ : KMgF3 (Μ = V, Cr, and Mn). Results of a cluster-model calculation

1987 ◽  
Vol 84 ◽  
pp. 855-861 ◽  
Author(s):  
M. Flórez ◽  
M. Bermejo ◽  
V. Luaña ◽  
E. Francisco ◽  
J.M. Recio ◽  
...  
Keyword(s):  
Model Calculation ◽  
Cluster Model ◽  
Electronic Transitions
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