Optical properties of disubstituted polyacetylene thin films

Fujii, Akihiko; Hidayat, Rahmat; Sonoda, T.; Fujisawa, Takeshi; Ozaki, Masanori; Vardeny, Z.V.; Teraguchi, Masahiro; Masuda, Toshio; Yoshino, Katsumi

doi:10.1016/s0379-6779(00)00523-3

Cited by 44 publications

(41 citation statements)

References 14 publications

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“…From the table it is clear that overall, the results of the MRSDCI calculations performed on PDPA-5 are in a very good quantitative agreement with the experimental results as far as the peak positions are concerned. Combined with the assertion by the experimentalists that most of the oligomers are 5 to 7 repeat units long, 8,14 one is tempted to believe that the present theory describes the experimental situation quite well. But, we believe that such …”

Section: Peak Statementioning

confidence: 70%

“…The reasons behind choosing these oligomers is that the conjugation lengths of the oligomers under experimental conditions is believed to be short. 14 The resonant Raman-scattering-based studies in films of PDPA-nBu have indicated that the mean conjugation length is seven repeat units, 8 while in the solution phase it is believed to be close to five repeat units. 14 Therefore, we believe that our choice of the oligomers PDPA-5 and PDPA-10 is well suited for comparisons with the experiments.…”

Section: B Theoretical Resultsmentioning

confidence: 99%

“…[1][2][3][4][5][6][7][8] Despite their structural similarities to trans-polyacetylene-which is well known to be nonphotoluminescent-PDPA's are known to exhibit photoluminescence ͑PL͒ with a large quantum efficiency. 5 We explained this apparently contradictory behavior in our earlier papers [9][10][11] in terms of the reduced electron correlation effects caused by the delocalization of the exciton in the transverse direction because of the presence of phenyl rings.…”

Section: Introductionmentioning

confidence: 99%

“…12,13 Furthermore, we argued that in PDPA's the delocalization of the excitons has a couple of more important consequences on their optical properties: ͑a͒ reduced optical gaps as compared to transpolyacetylene, and ͑b͒ a significant presence of transverse polarization in the photons emitted during the PL in PDPA's, a prediction, which, since then, has been verified in several experiments. 8,14 Recently, Korovyanko et al 15 have probed the excited states of PDPA's using photoinduced absorption ͑PA͒ spectroscopy, leading to the measurement of excited states. They measured the PA spectrum of oligo-PDPA's both from the 1B u as well as the 2A g excited states.…”

Section: Introductionmentioning

confidence: 99%

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Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

Sony

Shukla

2005

Phys. Rev. B

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In a recently performed experiment, ͓Korovyanko et al.Phys. Rev. B 67, 035114 ͑2003͔͒ have measured the photoinduced absorption ͑PA͒ spectrum of phenyl-disubstituted polyacetylenes ͑PDPA's͒ from the 1B u and 2A g excited states. In the 1B u PA spectrum they identified two main features, namely, PA1 and PA2, while in the 2A g spectrum they identified only one feature called PA g . In this paper we present a theoretical study of the 1B u and 2A g PA spectra of oligo-PDPA's using the correlated-electron Pariser-Parr-Pople model and various configuration interaction methodologies. We compare the calculated spectra with the experiments, as well as with the calculated spectra of polyenes of the same conjugation lengths. The calculated spectra are in good agreement with the experiments. Based upon our calculations, we identify PA1 as the mA g state and PA g as the nB u state of the polymer. Regarding the PA2 feature, we present our speculations. Additionally, it is argued that the nature of the excited states contributing to the 2A g -PA spectra of oligo-PDPA's is qualitatively different from those contributing to the spectra of polyenes.

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Section: Peak Statementioning

confidence: 70%

Section: B Theoretical Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

Sony

Shukla

2005

Phys. Rev. B

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“…[10][11][12][13][14][15][16][17] The interesting aspect of the linear optical properties of these materials is that they exhibit strong photoluminescence ͑PL͒, despite their structural similarities to trans-polyacetylene, which is well known to be nonphotoluminescent. 14 In a series of theoretical studies, we explained the strong PL exhibited by PDPA's in terms of reduced electron-correlation effects caused by the delocalization of excitons in the transverse direction because of the presence of phenyl rings in that direction.…”

Section: Introductionmentioning

confidence: 99%

Theory of nonlinear optical properties of phenyl-substituted polyacetylenes

Shukla

2004

Phys. Rev. B

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In this paper we present a theoretical study of the third-order nonlinear optical properties of poly͑diphe-nyl͒polyacetylene ͑PDPA͒ pertaining to the third-harmonic-generation process. We study the aforesaid process in PDPA's using both the independent electron Hückel model, as well as correlated-electron Pariser-Parr-Pople ͑P-P-P͒ model. The P-P-P model based calculations were performed using various configuration-interaction ͑CI͒ methods such as the the multireference-singles-doubles CI and the quadruples-CI methods, and both the longitudinal and the transverse components of third-order susceptibilities were computed. The Hückel-model calculations were performed on oligo-PDPA's containing up to 50 repeat units, while correlated calculations were performed for oligomers containing up to ten unit cells. At all levels of theory, the material exhibits highly anisotropic nonlinear optical response, in keeping with its structural anisotropy. We argue that the aforesaid anisotropy can be divided over two natural energy scales: ͑a͒ the low-energy response is predominantly longitudinal and is qualitatively similar to that of polyenes, while ͑b͒ the high-energy response is mainly transverse, and is qualitatively similar to that of trans-stilbene.

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Room Temperature Fluorescent Conjugated Polymer Gums

Jin

Bae

Cho

et al. 2013

Adv Funct Materials

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High molecular weight poly(diphenylacetylene) [PDPA] derivatives are introduced as fluorescent, soft conjugated polymers that exist in the gum state at room temperature. The gum‐like behavior of the polymers is easily modified according to the side alkyl chain length and substitution position. Long alkyl chain‐coupled PDPA derivatives provide soft and sticky gums at room temperature. Manual kneading of gum polymers produce soft films with very smooth surfaces. The gum polymers show an endothermic transition due to the melting of long alkyl chains. The X‐ray diffraction of gum polymers reveals a new signal due to the molten aliphatic chains. The gum polymers show significant viscoelastic relaxation at the melting temperature of the alkyl side chains. The dynamic thermo‐mechanical analysis (DTMA) of gum polymers at room temperature suggest that the meta‐substituted polymer is softer and stickier than para‐polymer. Rheological analysis suggests that the meta‐polymer has less entanglement than para‐polymer. The fluorescence emission of gum polymer is quite intense in the film and solution. The gum polymer film is readily stretched to produce a uniaxually oriented film. Stretching and subsequent relaxation of elastomer‐supported gum polymer film generate buckles perpendicular to the axis of strain. The gum polymer film accommodates the large strain without cracking and delamination.

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Optical properties of disubstituted polyacetylene thin films

Cited by 44 publications

References 14 publications

Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

Photoinduced absorption in disubstituted polyacetylenes: Comparison of theory with experiments

Theory of nonlinear optical properties of phenyl-substituted polyacetylenes

Room Temperature Fluorescent Conjugated Polymer Gums

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