scholarly journals Defining side chain successions in anthracene-based poly(arylene ethynylene)-alt-poly(phenylene vinylene)s: probing structure–property relationships

2019 ◽  
Vol 10 (39) ◽  
pp. 5339-5347
Author(s):  
Christoph Ulbricht ◽  
Nassima Bouguerra ◽  
Samuel Inack Ngi ◽  
Oliver Brüggemann ◽  
Daniel A. M. Egbe
Keyword(s):  
Conjugated Polymers ◽  
Spectroscopic Study ◽  
Side Chain ◽  
Phenylene Vinylene ◽  
Structure Property ◽  
Structure Property Relationships

A detailed spectroscopic study of nine conjugated polymers with various octyloxy/2-ethylhexyloxy side chain sequences prepared using optimized regio-selective synthetic pathways.

scholarly journals Physical and Electrochemical Properties of Soluble 3,4-Ethylenedioxythiophene (EDOT)-Based Copolymers Synthesized via Direct (Hetero)Arylation Polymerization

2021 ◽  
Vol 9 ◽  
Author(s):  
Qiang Guo ◽  
Jincheng Zhang ◽  
Xiaoyu Li ◽  
Heqi Gong ◽  
Shuanghong Wu ◽  
...  
Keyword(s):  
Conjugated Polymers ◽  
Electrochemical Properties ◽  
High Performance ◽  
Molecular Conformation ◽  
Careful Study ◽  
Structure Property ◽  
Organic Electronic Devices ◽  
Molecular Weights ◽  
Structure Property Relationships ◽  
Electronic And Structural Properties

Over the past decades, π-conjugated polymers (CPs) have drawn more and more attention and been essential materials for applications in various organic electronic devices. Thereinto, conjugated polymers based on the 3,4-ethylenedioxythiophene (EDOT) backbone are among the high-performance materials. In order to investigate the structure–property relationships of EDOT-based polymers and further improve their electrochemical properties, a series of organic solvent–soluble EDOT-based alternative copolymers consisting of electron-rich fragments (fluorene P1, carbazole P2, and 3,4-alkoxythiophene P3) or electron-deficient moieties (benzotriazole P4 and thieno[3,4-c]pyrrole-4,6-dione P5) were synthesized via direct C–H (hetero)arylation polymerization (DHAP) in moderate to excellent yields (60–98%) with medium to high molecular weights (Mn = 3,100–94,000 Da). Owing to their various electronic and structural properties, different absorption spectra (λmax = 476, 380, 558, 563, and 603 nm) as well as different specific capacitances of 70, 68, 75, 51, and 25 F/g with 19, 10, 21, 26, and 69% of capacity retention after 1,000 cycles were observed for P1–P5, respectively. After careful study through multiple experimental measurements and theoretical calculation, appropriate electronic characteristics, small molecular conformation differences between different oxidative states, and well-ordered molecular stacking could improve the electrochemical performance of CPs.

scholarly journals Heterometal Grafted metalla-ynes and Poly(metalla-ynes): A Review on Structure–Property Relationships and Applications

Polymers ◽  
2021 ◽  
Vol 13 (21) ◽  
pp. 3654
Author(s):  
Rayya A. Al-Balushi ◽  
Ashanul Haque ◽  
Idris J. Al-Busaidi ◽  
Houda Al-Sharji ◽  
Muhammad S. Khan
Keyword(s):  
Physical Properties ◽  
Main Chain ◽  
Functional Materials ◽  
Photo Luminescence ◽  
Structural Features ◽  
Side Chain ◽  
Structure Property ◽  
Molecular Scaffolds ◽  
Structure Property Relationships ◽  
Rigid Rod

Metalla-ynes and poly(metalla-ynes) have emerged as unique molecular scaffolds with fascinating structural features and intriguing photo-luminescence (PL) properties. Their rigid-rod conducting backbone with tunable photo-physical properties has generated immense research interests for the design and development of application-oriented functional materials. Introducing a second d- or f-block metal fragment in the main-chain or side-chain of a metalla-yne and poly(metalla-yne) was found to further modulate the underlying features/properties. This review focuses on the photo-physical properties and opto-electronic (O-E) applications of heterometal grafted metalla-ynes and poly(metalla-ynes).

A long side chain imidazolium-based graft-type anion-exchange membrane: novel electrolyte and alkaline-durable properties and structural elucidation using SANS contrast variation

Soft Matter ◽  
2020 ◽  
Vol 16 (35) ◽  
pp. 8128-8143 ◽  
Author(s):  
Yue Zhao ◽  
Kimio Yoshimura ◽  
Ahmed Mohamed Ahmed Mahmoud ◽  
Hwan-Chul Yu ◽  
Shun Okushima ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Hydrazine Hydrate ◽  
Anion Exchange ◽  
Anion Exchange Membrane ◽  
Structural Elucidation ◽  
Side Chain ◽  
Structure Property ◽  
Contrast Variation ◽  
Structure Property Relationships ◽  
Exchange Membrane

Structure–property relationships of newly developed AEMs were studied. Hydrazine-hydrate fuel cell tests show good performance and the best durability thus far.

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

2018 ◽  
Author(s):  
Mohammad Atif Faiz Afzal ◽  
Jarod M. Younker ◽  
George Rodriguez
Keyword(s):  
High Throughput Screening ◽  
Waste Water Treatment ◽  
Chain Structure ◽  
Polymer Chains ◽  
Side Chain ◽  
Radius Of Gyration ◽  
Structure Property ◽  
Engine Oils ◽  
Structure Property Relationships ◽  
Dynamics Simulations

<pre>The key to the discovery of materials with targeted properties lies in the understanding of structure-property relationships. In this work, we evaluate the relationship between the polymer structure and their coil dimensions, and explore new polymers based on these relations. Coil dimensions are important features of polymers which affect their performance in various applications, including drug delivery, waste-water treatment, and engine oils. Coil dimensions of the polyolefins are dependent on the number, size, and stereo orientation of side chains along the backbone. Thus, controlling these attributes allows us to tailor the coil dimensions of polyolefins. In the proposed scheme, we calculate the radius of gyration (<i>R<sub>g</sub></i>) of polyolefin chains using molecular dynamics simulations and validate against experimental results. Simulated annealing is implemented to ensure the capture of different configurations. This model affords the ability to quantify the effect tacticity has on the coil dimensions of polyolefins. The results show the suppression of tacticity effects when the polymer chains transition to bottlebrush structures, demonstrating that the side chain steric hindrance plays an important role in the rigidity of the chain backbone. Further, the model is used to evaluate the compositional effects by determining the rigidity of propylene and 1-hexene copolymers. Combining our model with virtual high-throughput screening techniques, we evaluated the coiling behavior of hundreds of new polymers. Using the screening results, we established correlations between the structure of the side chain and the coil dimensions of polymers.</pre><pre>The supplementary material accompanying this paper includes the library of 275 polymers and their corresponding <i>K<sub>s</sub></i> values.<br></pre>

Structure-property relationships of small bandgap conjugated polymers for solar cells

2009 ◽  
pp. 10032 ◽  
Author(s):  
Stefan Hellström ◽  
Fengling Zhang ◽  
Olle Inganäs ◽  
Mats R. Andersson
Keyword(s):  
Solar Cells ◽  
Conjugated Polymers ◽  
Structure Property ◽  
Structure Property Relationships

scholarly journals Speciation in CO2-loaded aqueous solutions of sixteen triacetoneamine-derivates (EvAs) and elucidation of structure-property relationships

2021 ◽  
Author(s):  
Elmar Kessler ◽  
Luciana Ninni ◽  
Tanja Breug-Nissen ◽  
Benjamin Willy ◽  
Rolf Schneider ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Aqueous Solutions ◽  
Spectroscopic Study ◽  
Mass Fraction ◽  
Chemical Structure ◽  
Ring Structure ◽  
Important Influence ◽  
Co2 Absorption ◽  
Structure Property ◽  
Structure Property Relationships

The speciation in CO2-loaded aqueous solutions of 16 different derivates of triacetoneamine (EvAs) was investigated in a comprehensive NMR-spectroscopic study. About 350 experiments were carried out for CO2-loadings up to 3 moles CO2 per mole amine, temperatures between 20 °C and 100 °C, and a mass fraction of EvA in the unloaded solvent of 0.1 g/g. The observed CO2-containing species were primary and secondary carbamates, alkylcarbonate, (bi)carbonate, and molecular CO2. Some EvAs can form zwitterions with a ring structure, which have an important influence on the speciation. From the comprehensive set of data, relationships between the chemical structure of the EvAs and the observed speciation in aqueous solution were established. These results were related to application properties of the EvAs that were taken from previous work. Based on the findings, some general guidelines for the design of new amines were derived and applied for proposing new amines for CO2-absorption.

An Overview of Conjugated Polymers in their Insulating Forms

1992 ◽  
Vol 247 ◽  
Author(s):  
Daniel J. Sandman
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Conjugated Polymers ◽  
Single Crystals ◽  
Optical Spectroscopy ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Device Applications ◽  
Linear Optical Properties ◽  
Linear Optical

ABSTRACTA brief overview is presented of the electrical and linear optical properties of conjugated polymers in their electrically insulating forms. Topics discussed include electronic structure and optical spectroscopy, thermochromism, and device applications, particularly electroluminescence. Structure-property relationships are stressed. Particular emphasis is placed on the properties of polydiacetylenes as they are available as macroscopic single crystals and, hence, are the best defined class of conjugated polymers.

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