Growth from Solutions, Structure, and Photoluminescence of Single-Crystal Plates of p-Terphenyl and Its Trimethylsilyl Derivative

Postnikov, V. A.; Сорокина, Н. И.; Алексеева, О. А.; Kulishov, A. A.; Sokolnikov, R. I.; Lyasnikova, M. S.; Гребенев, В. В.; Борщев, О. В.; Skorotecky, M. S.; Сурин, Н. М.; Svidchenko, Evgeniya A.; Ponomarenko, Sergei A.; Волошин, А. Э.

doi:10.1134/s1063774518050243

Cited by 15 publications

(13 citation statements)

References 22 publications

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“…One of the approaches to increase solubility of the oligomer in order to improve its crystal growth characteristics is to add branched terminal substituents into the molecular structure. However, this approach will naturally lead to a change in the crystal structure, which will be more friable, and, accordingly, to a greater or lesser extent, will affect the electrical and optical properties of the crystals [16][17][18][19][20]. Without changing the chemical structure, it is possible to significantly improve the solubility of the oligomer due to a substantial increase in the solution temperature.…”

Section: Introductionmentioning

confidence: 99%

Large Area Free-Standing Single Crystalline Films of p-Quinquephenyl: Growth, Structure and Photoluminescence Properties

et al. 2020

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Studies of the growth of large-area free-standing single-crystalline films of p-quinquephenyl are presented. High-quality crystals were grown by slow cooling of a hot chlorobenzene solution. Worse quality large-area free-standing single crystals of p-quinquephenyl were also grown by using physical vapor transport and used for comparison. The crystal structure of p-quinquephenyl at 293 K and 85 K was refined by single-crystal X-ray diffraction. The optical absorption and photoluminescence spectra of solutions and crystalline films were obtained and analyzed; a positive solvatochromic effect was detected.

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Section: Introductionmentioning

confidence: 99%

Large Area Free-Standing Single Crystalline Films of p-Quinquephenyl: Growth, Structure and Photoluminescence Properties

et al. 2020

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“…The crystal packing of p -quaterphenyl exhibits a layered structure with long molecular axes almost perpendicular to the layer. A very similar crystal structure (CCDC 2014611) has been recently obtained …”

Section: Methodsmentioning

confidence: 64%

“…A very similar crystal structure (CCDC 2014611) has been recently obtained. 30 We chose several dimers on the nearest-neighbor basis. Three types of dimers correspond to molecular packing in the layer: dimer A is a herringbone pair (two monomeric subunits belonging to the same unit cell), dimer B is a close-packed parallel-displaced pair (corresponds to the translation of a monomer along the b-axis of the unit cell), and dimer C is a loose parallel-displaced pair (corresponds to the translation of a monomer along the a-axis of the unit cell) (Figure 2a).…”

Section: Marcus Theory For Hopping Charge Transportmentioning

confidence: 99%

Anisotropic Hole Transport in ap-Quaterphenyl Molecular Crystal: Theory and Simulation

et al. 2021

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A computational procedure is proposed for predicting the charge hopping rate in organic semiconductor crystals. The procedure is verified using a p-quaterphenyl molecular crystal as the test system, in which the thermally activated hole mobility is relatively low, its hole states are localized, and, hence, charge transport is of hopping character. The hole mobility in p-quaterphenyl is simulated by the Monte Carlo method with the hopping probability governed by a Marcus-like rate constant. The microscopic parameters of the Marcus model have been calculated by ab initio multireference quantum chemical method (XMCQDPT/CASSCF). Molecular conformation and crystal environment effects on the Marcus hopping parameters are studied. It is found that different arrangements of monomers typical for the crystal structure provide different hopping parameters and, hence, different hole mobilities in different directions. Monte Carlo simulations of the hole mobility predict that the hole mobility attains its maximum in the [100] direction, where hopping occurs through parallel monomers at the closest distance, which is lower than 0.01 cm2/(V·s).

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“…The reason for the absence in (TMS-2T-Ph) 2 -BTD crystals of the tendency to grow at the liquid-air interface under the experimental conditions seems to be related to the specifics of their structure. If we consider a group of linear co-oligomers capable of 2D growth at the air-solution interface in the form of extensive crystalline films and plates, for example, oligophenylenes and thiophene-phenylenes, as well as their derivatives with terminal substituents (Hotta et al, 2004;Hotta & Yamao, 2011;Postnikov et al, 2014Postnikov et al, , 2018b, then one can see a certain similarity of their crystalline structures. Indeed, the crystal structure of these substances consists of a stack of monomolecular layers, inside which the molecules are packed in a herringbone order.…”

Section: Crystal Structure and Growth Habitmentioning

confidence: 99%

“…It is known that the introduction of terminal trimethylsilyl substituents into oligophenylene and oligothiophene-phenylene molecules significantly improves the solubility and, respectively, the characteristics of crystal growth from solutions (Postnikov et al, 2014(Postnikov et al, , 2018bKudryashova et al, 2016). However, the growth and structure of single-crystal samples of linear co-oligomers with a benzothiadiazole fragment have not yet been described in the literature.…”

Section: Introductionmentioning

confidence: 99%

Highly luminescent crystals of a novel linear π-conjugated thiophene–phenylene co-oligomer with a benzothiadiazole fragment

Postnikov

Сорокина

Kulishov

et al. 2019

Acta Crystallogr B Struct Sci Cryst Eng Mater

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The synthesis, growth from solutions and structure of crystals of a new linear thiophene–phenylene co‐oligomer with a central benzothiadiazole fragment with a conjugated core, (TMS‐2T‐Ph)2‐BTD, are presented. Single‐crystal samples in the form of needles with a length of up to 7 mm were grown and their crystal structure was determined at 85 K and 293 K using single‐crystal X‐ray diffraction. The conformational differences between the crystal structures are insignificant. The parameters of melting and liquid crystalline phase transitions of (TMS‐2T‐Ph)2‐BTD were established using differential scanning calorimetry and the thermal stability of the crystals was investigated using thermogravimetric analysis. The optical absorption and photoluminescence spectra of the solutions and crystals of (TMS‐2T‐Ph)2‐BTD were obtained, and the kinetics of their photodegradation under the action of UV radiation were studied.

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Growth from Solutions, Structure, and Photoluminescence of Single-Crystal Plates of p-Terphenyl and Its Trimethylsilyl Derivative

Cited by 15 publications

References 22 publications

Large Area Free-Standing Single Crystalline Films of p-Quinquephenyl: Growth, Structure and Photoluminescence Properties

Large Area Free-Standing Single Crystalline Films of p-Quinquephenyl: Growth, Structure and Photoluminescence Properties

Anisotropic Hole Transport in ap-Quaterphenyl Molecular Crystal: Theory and Simulation

Highly luminescent crystals of a novel linear π-conjugated thiophene–phenylene co-oligomer with a benzothiadiazole fragment

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