Molecular structure of side-chain liquid crystalline polysiloxane in the smectic C phase from X-ray diffraction and molecular modeling

Polymer ◽  
2007 ◽  
Vol 48 (17) ◽  
pp. 5161-5173 ◽  
Author(s):  
Kuei-Jen Lee ◽  
Ging-Ho Hsiue ◽  
Jung-Lung Wu ◽  
Yi-An Sha
Keyword(s):  
Molecular Structure ◽  
Molecular Modeling ◽  
Liquid Crystalline ◽  
Side Chain ◽  
X Ray Diffraction ◽  
X Ray ◽  
Smectic C ◽  
Liquid Crystalline Polysiloxane

Synthesis of Ferroelectric Liquid Crystalline Polymers by Ring Opening Polymerization

1996 ◽  
Vol 425 ◽  
Author(s):  
C. S. Hsu ◽  
C. J. Lee
Keyword(s):  
Ring Opening ◽  
Liquid Crystalline ◽  
Liquid Crystalline Polymers ◽  
Ring Opening Polymerization ◽  
Side Chain ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Crystalline Polymers ◽  
Smectic A ◽  
Smectic C

AbstractThe synthesis of two series of side-chain liquid crystalline polyoxetanes and polyoxiranes containing 4-alkanyloxybiphenyl-4′ -yl (2S,3S)-2-chloro-3-methylvalerate side groups is presented. Differential scanning calorimetry, polarizing optical microscopy, and X-ray diffractometry reveal smectic mesomorphism for all obtained polymers. Most of the prepared polyoxetanes present smectic A and chiral smectic C phases. The polyoxetane containing tweleve methylene units in the spacer is the only one showing two enantiotropic smectic A and B phases. All of the obtained polyoxiranes display two enantiotropic smectic A and B phases. Although the polyoxetane and polyoxirane backbones are more flexible than the polymethacrylate backbone, side-chain crystallization do not occur in any of the synthesized polymers.

scholarly journals Design and Self-Assembling Behaviour of Calamitic Reactive Mesogens with Lateral Methyl and Methoxy Substituents and Vinyl Terminal Group

Polymers ◽  
2021 ◽  
Vol 13 (13) ◽  
pp. 2156
Author(s):  
Alexej Bubnov ◽  
Martin Cigl ◽  
Deyvid Penkov ◽  
Marek Otruba ◽  
Damian Pociecha ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Liquid Crystalline ◽  
Terminal Group ◽  
X Ray Diffraction ◽  
Flexible Chain ◽  
X Ray ◽  
Self Assembling ◽  
Methoxy Groups ◽  
Chain Lengths ◽  
Reactive Mesogens

Smart self-organising systems attract considerable attention in the scientific community. In order to control and stabilise the liquid crystalline behaviour, and hence the self-organisation, the polymerisation process can be effectively used. Mesogenic units incorporated into the backbones as functional side chains of weakly cross-linked macromolecules can become orientationally ordered. Several new calamitic reactive mesogens possessing the vinyl terminal group with varying flexible chain lengths and with/without lateral substitution by the methyl (methoxy) groups have been designed and studied. Depending on the molecular structure, namely, the type and position of the lateral substituents, the resulting materials form the nematic, the orthogonal SmA and the tilted SmC phases in a reasonably broad temperature range, and the structure of the mesophases was confirmed by X-ray diffraction experiments. The main objective of this work is to contribute to better understanding of the molecular structure–mesomorphic property relationship for new functional reactive mesogens, aiming at further design of smart self-assembling macromolecular materials for novel sensor systems.

Synthesis and Phase Behavior of Polysiloxane Nematic Liquid Crystal Elastomers

2012 ◽  
Vol 535-537 ◽  
pp. 1185-1188 ◽  
Author(s):  
Ying Gang Jia ◽  
Kun Ming Song ◽  
Bao Yan Zhang
Keyword(s):  
Differential Scanning Calorimetry ◽  
Phase Behavior ◽  
Liquid Crystalline ◽  
Side Chain ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
One Step ◽  
Liquid Crystal Elastomers ◽  
Reversible Phase

This paper describes the synthesis of new side chain nematic liquid crystalline elastomers (LCEs) by a one-step hydrosilication reaction. The phase behavior and mesomorphism were investigated by differential scanning calorimetry (DSC), polarizing optical microscopy (POM), and x-ray diffraction (XRD). The effect of the content of crosslinking units on the phase behavior and mesomorphism of elastomers P1 – P8 was discussed. The nematic LCEs exhibit elasticity, reversible phase transitions, and nematic thread texture. The experimental results demonstrate that the glass transition temperature and isotropic temperature of nematic LCEs decreased with increasing the content of crosslinking unit.

Origin of the Difference in Phase Transition Behavior between TwoType of All-Organic Radical Liquid Crystals

2008 ◽  
Vol 55 ◽  
pp. 42-45
Author(s):  
Yoshiaki Uchida ◽  
Rui Tamura ◽  
Naohiko Ikuma ◽  
Satoshi Shimono ◽  
Hiroki Takahashi ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Phase Transition ◽  
Liquid Crystalline ◽  
Crystallographic Analysis ◽  
Side Chain ◽  
Organic Radical ◽  
Phase Transition Behavior ◽  
X Ray ◽  
The Core ◽  
The Difference

We have synthesized two types of all-organic radical liquid crystalline (LC) compounds, trans-2-alkoxyphenyl-5-[4-(4-alkoxybenzenecarbonyloxy)phenyl]-2,5-dimethylpyrrolidine-1-oxy (1) and 4-alkoxyphenyl trans-4-[5-(4-alkoxyphenyl)-2,5-dimethylpyrrolidine-1-oxy-2-yl]benzoate (2) and have fully characterized their LC properties. Although the only difference in the molecular structure between 1 and 2 is the orientation of a binding group connecting the core portion and one side-chain (-OCO- and -COO- for 1 and 2), the racemic or enantiomerically enriched 2 showed an SmA phase, or SmA* and TGBA* phases, which were not observed for 1, besides N and SmC, or N* and SmC* phases, respectively. Here we discuss the origin of these differences on the basis of their crystal structures determined by X-ray crystallographic analysis.

scholarly journals Synthesis of Bis(Carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) and Attempt of Synthesis of Gadolinium Bis(Dicarbollide)

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1321
Author(s):  
Yasunobu Asawa ◽  
Aleksandra V. Arsent’eva ◽  
Sergey A. Anufriev ◽  
Alexei A. Anisimov ◽  
Kyrill Yu. Suponitsky ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
Stable Conformation ◽  
Acyl Chlorides ◽  
X Ray ◽  
Cesium Fluoride ◽  
The Stability

Bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) were prepared by the reactions of the corresponding carboranyl acyl chlorides with ethylenediamine. Crystal molecular structure of 1,1′-μ-(CH2NH(O)C-1,2-C2B10H11)2 was determined by single crystal X-ray diffraction. Treatment of bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 with ammonium or cesium fluoride results in partial deboronation of the ortho-carborane cages to the nido-carborane ones with formation of [7,7′(8′)-μ-(CH2NH(O)C(CH2)n-7,8-C2B9H11)2]2−. The attempted reaction of [7,7′(8′)-μ-(CH2NH(O)CCH2-7,8-C2B9H11)2]2− with GdCl3 in 1,2-dimethoxy- ethane did not give the expected metallacarborane. The stability of different conformations of Gd-containing metallacarboranes has been estimated by quantum-chemical calculations using [3,3-μ-DME-3,3′-Gd(1,2-C2B9H11)2]− as a model. It was found that in the most stable conformation the CH groups of the dicarbollide ligands are in anti,anti-orientation with respect to the DME ligand, while any rotation of the dicarbollide ligand reduces the stability of the system. This makes it possible to rationalize the design of carborane ligands for the synthesis of gadolinium metallacarboranes on their base.

scholarly journals Building crystal structures of conjugated polymers through X‐ray diffraction and molecular modeling

SmartMat ◽  
2021 ◽  
Author(s):  
Ze‐Fan Yao ◽  
Qi‐Yi Li ◽  
Hao‐Tian Wu ◽  
Yi‐Fan Ding ◽  
Zi‐Yuan Wang ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Conjugated Polymers ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
X Ray
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