Synthesis and characterization of novel poly[4‐phenyl‐3‐(thiophen‐3‐ylmethyl)‐1<i>H</i>‐1,2,4‐triazole‐5(4<i>H</i>)‐thione]

Trung, Vũ Quốc; Linh, Nguyễn Ngọc; Chinh, Nguyễn Thúy; Linh, Duong Khanh; Hùng, Hà Mạnh; Oanh, Đoàn Thị Yến

doi:10.1002/vjch.2019000141

Cited by 8 publications

(1 citation statement)

References 36 publications

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“…The crystal and molecular structures of C 13 H 8 OS–H, C 13 H 8 OS–Br, C 13 H 8 OS–OH, C 13 H 8 OS–OCH 3 , and C 13 H 8 OS–OC 2 H 5 were characterized by X-ray diffraction. We showed that the chemical polymerization of monomers C 13 H 8 OS–FeCl 3 in chloroform had been performed, as recently reported [ 48 , 49 , 50 , 51 ]. The obtained results show that the bonding lengths between atoms 1 and 2 are: C–C with Br (1.33 Å), OH (1.33 Å), OCH 3 (1.33 Å), and OC 2 H 5 (1.32 Å); as well as C–O with Br (1.22 Å), OH (1.23 Å), OCH 3 (1.23 Å), and OC 2 H 5 (1.22 Å) [ 47 ].…”

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confidence: 77%

DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

et al. 2020

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Conjugated polymers are promising materials for various cutting-edge technologies, especially for organic conducting materials and in the energy field. In this work, we have synthesized a new conjugated polymer and investigated the effect of distance between bond layers, side-chain functional groups (H, Br, OH, OCH3 and OC2H5) on structural characteristics, phase transition temperature (T), and electrical structure of C13H8OS using Density Functional Theory (DFT). The structural characteristics were determined by the shape, network constant (a, b and c), bond length (C–C, C–H, C–O, C–S, C–Br and O–H), phase transition temperatures, and the total energy (Etot) on a base cell. Our finding shows that the increase of layer thickness (h) of C13H8OS–H has a negligible effect on the transition temperature, while the energy bandgap (Eg) increases from 1.646 eV to 1.675 eV. The calculation of bond length with different side chain groups was carried out for which C13H8OS–H has C–H = 1.09 Å; C13H8OS–Br has C–Br = 1.93 Å; C13H8OS–OH has C–O = 1.36 Å, O–H = 0.78 Å; C13H8OS–OCH3 has C–O = 1.44 Å, O–H =1.10 Å; C13H8OS–OC2H5 has C–O = 1.45 Å, C–C = 1.51Å, C–H = 1.10 Å. The transition temperature (T) for C13H8OS–H was 500 K < T < 562 K; C13H8OS–Br was 442 K < T < 512 K; C13H8OS–OH was 487 K < T < 543 K; C13H8OS–OCH3 was 492 K < T < 558 K; and C13H8OS–OC2H5 was 492 K < T < 572 K. The energy bandgap (Eg) of Br is of Eg = 1.621 eV, the doping of side chain groups H, OH, OCH3, and OC2H5, leads to an increase of Eg from 1.621 eV to 1.646, 1.697, 1.920, and 2.04 eV, respectively.

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Section: Introductionsupporting

confidence: 77%

DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

et al. 2020

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Synthesis of polythiophene containing heterocycle on the side chain: A review

Linh¹,

Nguyen

Trung

2020

Vietnam Journal of Chemistry

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This review highlights some synthesis results of ionic and neutral conjugated polythiophenes containing heterocyclic moieties on side chain using oxidative or cross‐coupling polymerizations. Because of their increasing importance in material science, a lot of methods have recently been developed for their synthesis and modification. The review also reported out that conjugated polythiophenes exhibit special optical and electrical properties with high solubility in water making potential applications of these polymers from aqueous solutions, which can facilitate the preparation of the composites of these polymers. The art of designing side chains with various sizes, electronic properties and polarities was demonstrated to be necessary for fine‐tuning the solubility and other properties of polythiophenes, thereby enhancing their applications as advanced materials.

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Fluorescent properties of some polythiophenes synthesized from 2‐(thiophen‐3‐yl)acetohydrazide and acetophenone

Linh

Hùng

Oanh

et al. 2020

Vietnam Journal of Chemistry

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In this study, new polythiophenes containing hydrazone groups from derivatives of acetophenone were synthesized by chemical oxidative coupling polymerization. Ultraviolet‐visible spectroscopy (UV‐Vis) combined with infrared (IR) analyses proved the supposed structure of novel polythiophenes and proved conformance of the expected synthetic method. Morphology and surface properties of the synthesized polymers were investigated by field‐emission scanning electron microscopy (FE‐SEM). Thermal gravimetry analysis (TGA) has been reported that there was still the presence of small FeCl3 catalyst in polymers and polymers had a stable thermal stability under air atmosphere. The polymers displayed fluorescence emissions at about 590 nm attributed to the π‐conjugated polythiophene. Polymers without doping have a good electrical conductivity (around 4.03×10–7 S/cm at 1 MHz).

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Synthesis and characterization of novel poly[4‐phenyl‐3‐(thiophen‐3‐ylmethyl)‐1H‐1,2,4‐triazole‐5(4H)‐thione]

Cited by 8 publications

References 36 publications

DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

DFT Prediction of Factors Affecting the Structural Characteristics, the Transition Temperature and the Electronic Density of Some New Conjugated Polymers

Synthesis of polythiophene containing heterocycle on the side chain: A review

Fluorescent properties of some polythiophenes synthesized from 2‐(thiophen‐3‐yl)acetohydrazide and acetophenone

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