Physics – Chemical Physics
Scientific paper
2008-02-05
Physics
Chemical Physics
6 pages, 6 figures, submitted to Journal of Physical Chemistry B, 2008
Scientific paper
Optical absorption spectra of poly(thiophene vinylene) (PTV) conjugated polymers have been studied at room temperature in the spectral range of 450 to 800 nm. A dominant peak located at 577 nm and a prominent shoulder at 619 nm are observed. Another shoulder located at 685 nm is observed at high concentration and after additional treatment (heat, sonification) only. Equilibrium atomic geometries and optical absorption of PTV conjugated polymers have also been studied by first principles density functional theory (DFT). For PTV in solvent, the theoretical calculations predict two equilibrium geometries with different interchain distances. By comparative analysis of the experimental and theoretical data, it is demonstrated that the new measured long-wavelength optical absorption shoulder is consistent with new optical absorption peak predicted for most energetically favorable PTV phase in the solvent. This shoulder is interpreted as a direct indication of increased interchain interaction in the solvent which has caused additional electronic energy structure transformations.
Bonner C. E.
Gavrilenko Alexander V.
Gavrilenko Vladimir I.
Matos T. D.
Sun Sam-Shajing
No associations
LandOfFree
Optical Absorption of Poly(thiophene vinylene) Conjugated Polymers. Experiment and First Principle Theory does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Optical Absorption of Poly(thiophene vinylene) Conjugated Polymers. Experiment and First Principle Theory, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Optical Absorption of Poly(thiophene vinylene) Conjugated Polymers. Experiment and First Principle Theory will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-45276