Classification of the hydrogen-bonding species in a series of novel hydrazide based azobenzene derivatives investigated by two-dimensional correlation infrared spectroscopy and molecular modeling

Zhang, Hai-Hao; Wu, Yuqing; Bai, Binglian; Li, Min

doi:10.1016/j.saa.2005.04.052

Cited by 15 publications

(3 citation statements)

References 33 publications

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“…TMC-300 is one of the derivatives of benzhydrazide (Figure S1). Its self-assembly behavior is driven by its intermolecular interactions, such as hydrogen bonding among hydrazide moieties and stacking among aromatic groups. ,, As shown in Figure B, the dissolved TMC-300 can self-assemble into long fibrils with several branches. These fibrils serve as “shish” to induce the epitaxial growth of the PLA lamellae approximately orthogonal to their fibrillar direction, leading to a shish-kebab-like structure unlike the isotropic spherulite observed in neat PLA (Figure A).…”

Section: Results and Discussionmentioning

confidence: 99%

Enhancing the Oxygen-Barrier Properties of Polylactide by Tailoring the Arrangement of Crystalline Lamellae

Jiang

Wang

et al. 2018

ACS Sustainable Chem. Eng.

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The gas-barrier properties of semicrystalline polymers can be significantly adjusted by tailoring the arrangement of their impermeable crystalline lamellae. In particular, the highest barrier efficiency is achieved when the arrangement of the lamellae stacks is perpendicular to the direction of gas diffusion. The work reported on in this paper provides a strategy to achieve such a lamellar arrangement with the aid of a self-assembly nucleator and a two-dimensional (2D) interface. PT (PLA + TMC-300) and PTG (PLA + TMC-300 + graphene) were coextruded to form alternating PT/PTG multilayers with different layer numbers. During isothermal treatment at 140 °C, the dissolved TMC-300 first self-assembles into solid-state fibrils that are perpendicular to the 2D PT/PTG-layered interface due to the induced effects of the graphene. Subsequently, these TMC-300 fibrils induce the epitaxial growth of PLA lamellae with a normal parallel to the fibrillar direction of the TMC-300. In this way, a designed arrangement where the PLA lamellae stack perpendicular to the direction of gas diffusion is achieved. As expected, the resulting PLA exhibits impressively enhanced gas-barrier properties: a decrease of 85.4% in the oxygen permeability coefficient (P O2 ) was observed for the 16-layer sample (0.7 × 10–19 (m3·m)/(m2·s·Pa)) compared with the sample without layer structure. Through the construction of “lamellae-barrier walls” by tailoring the arrangement of the lamellae, this work provides a route to fabricate semicrystalline polymers with superior gas-barrier properties with great potential for use in high-barrier applications such as food packing, beverage bottles and fuel tanks.

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Section: Results and Discussionmentioning

confidence: 99%

Enhancing the Oxygen-Barrier Properties of Polylactide by Tailoring the Arrangement of Crystalline Lamellae

Jiang

Wang

et al. 2018

ACS Sustainable Chem. Eng.

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“…A different structure of the blend at higher concentration of DR19 is thus expected. However, similar azo-compound has been found to easily form aggregates 49,50 that may also explain a high value of dielectric constant and explain the apparition of the loss at lower frequency. 51 DR19 aggregates are formed by dipoledipole, and p-p interactions.…”

Section: Dielectric Propertiesmentioning

confidence: 99%

Origin of large field-induced strain of azobenzene/polyurethane blend dielectric elastomers

et al. 2015

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Herein a diaphragm type dielectric elastomer actuator by blending azobenzene dyes into a polyurethane matrix (Azo/PU) is described. The effects of azobenzene content on the dielectric, mechanical, and electromechanical properties of the Azo/PU blends are discussed. The resultant blends with azobenzene content ranging from 1 to 8 wt% were characterized. The dielectric permittivity of PU increased from 8.0 to 11.1 (increasing of 38.5%) at 1 wt% azo content and reached a maximum of 35.6 (increasing of 343%) at 4 wt% azo content. By blending with a small content of azo the dielectric breakdown strength reached 57 kV mm À1 , which is 86% higher than that of the neat PU. The 30 mm thick diaphragm of Azo/ PU blend with 1 wt% azo content exhibited the highest actuated displacement at the center around 700 mm. Meanwhile the neat PU gave a displacement of 25 mm. That is a 26-fold increase in actuation is obtained by blending only 1 wt% azo dyes into the PU matrix. Infrared spectroscopy was used to characterize the structure of the Azo/PU blends. The particular chemical structure the Azo/PU blend containing 1 wt% of azo dyes is proposed to be responsible for the improvement in electromechanical actuation.

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“…Supramolecular solids characterize as beautiful molecular architectures and they develop a new outlook in the molecular solid state for theoretical applications . Hydrogen bonding interactions are one of the essential contacts in the process of molecular aggregation and it can be used to design and accumulate supramolecular architectures . Intermolecular H‐bonding leads to the close‐packing of molecules within the crystal medium that is required for efficient nonlinear optical properties .…”

Section: Introductionmentioning

confidence: 99%

Crystal growth, characterization and Density functional theory computations of supramolecular N‐carbamothioyl acetamide

Prasad¹,

Meenakshisundaram²

2015

Crystal Research and Technology

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Single crystals of N‐carbamothioylacetamide (NCTA) were grown by slow evaporation technique at constant temperature. The structure is elucidated by single crystal XRD analysis. The studies reveal that the molecule is associated with accommodating weak C–O···H, N–H···O, N–H···S, C–H···N, C···C and H···H stacking interactions which are responsible for the formation and strengthening of supramolecular assembly. Inter‐ and intramolecular hydrogen bonding interactions exhibit supramolecular architecture in the crystal packing. Two different types of architecture, i.e., a column like packing, and cluster network type of infrastructure are observed. Hirshfeld surfaces and Fingerprint plots were used to locate and analyze the percentage of hydrogen bonding interactions. The various functional groups present in the molecule are confirmed by FT‐IR analysis. Density functional theory computations of the vibrational spectrum, molecular geometry, HOMO‐LUMO energy gaps, NBO and hyperpolarizability (β) were successfully evaluated. Facts concerning with the size, shape, charge density distribution and site of chemical reactivity of the molecule have been obtained by mapping electron density with electrostatic potential (ESP).

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Classification of the hydrogen-bonding species in a series of novel hydrazide based azobenzene derivatives investigated by two-dimensional correlation infrared spectroscopy and molecular modeling

Cited by 15 publications

References 33 publications

Enhancing the Oxygen-Barrier Properties of Polylactide by Tailoring the Arrangement of Crystalline Lamellae

Enhancing the Oxygen-Barrier Properties of Polylactide by Tailoring the Arrangement of Crystalline Lamellae

Origin of large field-induced strain of azobenzene/polyurethane blend dielectric elastomers

Crystal growth, characterization and Density functional theory computations of supramolecular N‐carbamothioyl acetamide

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