• Bulletin of the Korean Chemical Society
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• v.35 no.2
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• pp.531-538
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• 2014

The quantum mechanical properties of a series of oligo-para-phenylenes (2-11) were characterized using DFT B3LYP/6-311G(d,p) calculations. The global minimum among the various torsional conformers of an oligo-p-phenylene is calculated to be a twist conformation. A less stable planar conformation, in which all the dihedral angles in oligo-p-phenylene are restricted to be planar, has also been calculated. The total electronic energies, normal vibrational modes, Gibbs free energies, and HOMOs and LUMOs of the two different conformations (twisted and planar) of the oligo-p-phenylenes were analyzed. The energy differences between the HOMOs and LUMOs of the substrates are in accord with the maximum absorption peaks of the experimental UV spectra of 2-6. The calculated normal vibrational modes of 2-6 were comparable with their experimental IR spectra.

• Rapid Communication in Photoscience
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• v.4 no.3
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• pp.70-72
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• 2015

Oligomers of p-phenylene vinylene and its derivatives have drawn much attention due to their unusual emission characteristics of showing increased emission when they form into nanoparticles. We have investigated the optical properties of the oligo-(p-phenylene vinylene) and its cyano-substituted derivatives in solution and in nanoaggregate media by femtosecond and picosecond time resolved fluorescence as well as stationary spectroscopies. All the spectroscopic data are consistent with the conclusion that the cyano substitution on the ${\beta}$-position of oligo-(p-phenylene vinylene) leads to breakage of the otherwise planar structure of cyano-unsubstituted molecules, which opens up an extremely efficient, as fast as 100 fs, non-radiative relaxation channel of the excited state. Formation of the nanoaggregates reverts the effect to make the molecules planar and to block the non-radiative relaxation channel. Therefore, concerning the applications in organic electroluminescent devices and organic light emitting diodes, substitution by the cyano group is not advantageous, although such modification should be useful in respect of controlling fluorescence intensity in different media.

• 한국정보디스플레이학회:학술대회논문집
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• 2009.10a
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• pp.342-345
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• 2009

Bright light-emitting single crystal organic field-effect transistors (FETs) based on highly luminescent oligo(p-phenylenevinylene) (OPV) derivatives are demonstrated. Although OPV single crystal FETs show both p - and n - type FET operation, we found that an increase in the conjugation length of the OPV derivatives from three phenylene rings to five phenylene rings results in an improvement in the electron mobility by an order of magnitude, while retaining the high hole mobility with intense electroluminescence.

• Korean Chemical Engineering Research
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• v.49 no.1
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• pp.95-100
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• 2011

During the development of low band-gap organic materials(p-type semiconducting organic compounds) for organic solar cells, an oligomer consisting of 2,5-dioctyloxyphenylene(OP), 3-hexylthiophene(HT), and 2,3-dimethylthieno[ 3,4-b]pyrazine(TP) as repeat units, oligo(OP-HT-TP), was synthesized. The oligomer was amorphous in nature in the temperature range studied, and well soluble in common organic solvents such as chloroform. The maximum absorption wavelength was 716 nm in solid state. The band-gap and HOMO/LUMO energy levels of oligo(OP-HT-TP) were measured to be 1.20 eV and -5.27/4.04 eV, respectively. However, the absorbance of the oligomer at maximum absorption wavelength was less than one fifth of that of poly(3-hexylthiophene) which has been most frequently used in fabrication of organic solar cells.