Thermotropic Chiral Nematic Polymers as Optical Materials

1989 ◽  
Vol 175 ◽  
Author(s):  
S.H. Chen ◽  
M.L. Tsai ◽  
S.D. Jacobs
Keyword(s):  
Optical Materials ◽  
Helical Structure ◽  
Structural Features ◽  
Optically Active ◽  
Structure Property ◽  
Chiral Compound ◽  
Structure Property Relationships ◽  
Chiral Nematic ◽  
Chiral Structures ◽  
Nematic Polymers

AbstractChiral nematic copolymers based on optically active cholesterol, dihydrocholesterol, (R)-(+)- and (S)-(−)-1-phenylethylamine, and (+)- and (−)- isopinocampheol were synthesized and characterized for the investigations of thermotropic and optical properties. Although helical sense does not appear to correlate with the sign of [α]D of the precursor chiral compound as suggested by the observations of cholesteryl and dihydrocholesteryl copolymers, the inversion of chirality in the pendant group, (R)-(+)- vs (S)-(−)-1-phenylethylamine, does lead to the opposite handedness in the resultant helical structure. To better understand the structure-property relationships involving helical sense and twisting power, systematic studies of the roles played by both nematogenic and chiral structures as well as other structural features of the comonomers should be conducted.

scholarly journals 1,3-Diketone Calix[4]arene Derivatives—A New Type of Versatile Ligands for Metal Complexes and Nanoparticles

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1214
Author(s):  
Sergey N. Podyachev ◽  
Rustem R. Zairov ◽  
Asiya R. Mustafina
Keyword(s):  
Structural Diversity ◽  
Building Blocks ◽  
Structural Features ◽  
Structure Property ◽  
One Pot ◽  
Arene Ligands ◽  
Structure Property Relationships ◽  
New Type ◽  
Synthetic Routes ◽  
Magnetic Resonance Imaging Mri

The present review is aimed at highlighting outlooks for cyclophanic 1,3-diketones as a new type of versatile ligands and building blocks of the nanomaterial for sensing and bioimaging. Thus, the main synthetic routes for achieving the structural diversity of cyclophanic 1,3-diketones are discussed. The structural diversity is demonstrated by variation of both cyclophanic backbones (calix[4]arene, calix[4]resorcinarene and thiacalix[4]arene) and embedding of different substituents onto lower or upper macrocyclic rims. The structural features of the cyclophanic 1,3-diketones are correlated with their ability to form lanthanide complexes exhibiting both lanthanide-centered luminescence and magnetic relaxivity parameters convenient for contrast effect in magnetic resonance imaging (MRI). The revealed structure–property relationships and the applicability of facile one-pot transformation of the complexes to hydrophilic nanoparticles demonstrates the advantages of 1,3-diketone calix[4]arene ligands and their complexes in developing of nanomaterials for sensing and bioimaging.

scholarly journals Synthesis and Characterization of Photoluminescence Liquid Crystals Based on Flexible Chain-Bearing Pentafluorinated Bistolanes

Crystals ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 603
Author(s):  
Shigeyuki Yamada ◽  
Masaya Sato ◽  
Tsutomu Konno
Keyword(s):  
Phase Transition ◽  
Liquid Crystals ◽  
Oxygen Atom ◽  
Liquid Crystalline ◽  
Color Change ◽  
Photophysical Properties ◽  
Structure Property ◽  
Flexible Chain ◽  
Structure Property Relationships ◽  
Chiral Nematic

The liquid-crystalline (LC) and photophysical properties of molecules are very sensitive to their electronic and molecular aggregate structures. Herein, to shed light on the structure–property relationships of pentafluorinated bistolane-based photoluminescence (PL) liquid crystals (PLLCs) previously reported by our group, we synthesized pentafluorinated bistolanes with variable flexible chains and evaluated their LC and photophysical properties. The incorporation of an oxygen atom (to afford a 2-methoxyethoxy unit) or an oxygen atom and a methyl group (to afford a 1-methoxyprop-2-oxy unit) into the flexible butoxy chain significantly decreased the temperature of the crystalline-to-LC phase transition, and a chiral nematic phase comprising helical molecular aggregates was observed for the chiral 1-methoxyprop-2-oxy group–bearing bistolane. The synthesized bistolanes exhibited strong blue PL in both solution and crystalline phases; the featuring PL characteristics were maintained in the LC phase (produced by the crystalline-to-LC phase transition) except for a slight PL color change. Thus, it was concluded that the PL behavior of pentafluorinated bistolanes can be modulated by the choice of a suitable flexible chain, and the obtained insights are believed to facilitate the application of PLLCs in thermosensing PL materials.

QSPR STUDY OF RHEOLOGICAL AND MECHANICAL PROPERTIES OF CHLOROPRENE RUBBER ACCELERATORS

2014 ◽  
Vol 87 (2) ◽  
pp. 219-238 ◽  
Author(s):  
Roberto Todeschini ◽  
Viviana Consonni ◽  
Davide Ballabio ◽  
Andrea Mauri ◽  
Matteo Cassotti ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Mathematical Models ◽  
Structural Features ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Quantitative Structure Property Relationships ◽  
Cure Time ◽  
Chloroprene Rubber ◽  
Experimental Values ◽  
Rubber Accelerators

ABSTRACT In this preliminary study, mathematical models based on Quantitative Structure Property Relationships (QSPR) were applied in order to analyze how molecular structure of chloroprene rubber accelerators relates to their rheological and mechanical properties. QSPR models were developed in order to disclose which structural features mainly affect the mechanism of vulcanization. In such a way QSPR can help in a faster and more parsimonious design of new chloroprene rubber curative molecules. Regression mathematical models were calibrated on two rheological properties (scorch time and optimum cure time) and three mechanical properties (modulus 100%, hardness, and elongation at break). Models were calculated using experimental values of 14 accelerators belonging to diverse chemical classes and validated by means of different strategies. All the derived models gave a good degree of fitting (R2 values ranging from 84.5 to 98.7) and a satisfactory predictive power. Moreover, some hypotheses on the correlations between specific structural features and the analyzed rheological and mechanical properties were drawn. Owing to the relatively small set of accelerators used to calibrate the models, these hypotheses should be further investigated and proved.

scholarly journals Valency-Based Topological Properties of Linear Hexagonal Chain and Hammer-Like Benzenoid

Complexity ◽  
2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Yi-Xia Li ◽  
Abdul Rauf ◽  
Muhammad Naeem ◽  
Muhammad Ahsan Binyamin ◽  
Adnan Aslam
Keyword(s):  
Graphical Representation ◽  
Structural Features ◽  
Topological Indices ◽  
Quantitative Structure ◽  
Structure Property ◽  
Hexagonal Chain ◽  
Structure Property Relationships ◽  
Quantitative Measurements ◽  
Qsar Modelling ◽  
Quantitative Structure Property Relationships

Topological indices are quantitative measurements that describe a molecule’s topology and are quantified from the molecule’s graphical representation. The significance of topological indices is linked to their use in QSPR/QSAR modelling as descriptors. Mathematical associations between a particular molecular or biological activity and one or several biochemical and/or molecular structural features are QSPRs (quantitative structure-property relationships) and QSARs (quantitative structure-activity relationships). In this paper, we give explicit expressions of two recently defined novel ev-degree- and ve-degree-based topological indices of two classes of benzenoid, namely, linear hexagonal chain and hammer-like benzenoid.

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).

scholarly journals Directed self-assembly of soft 3D photonic crystals for holograms with omnidirectional circular-polarization selectivity

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
SeongYong Cho ◽  
Misaki Takahashi ◽  
Jun-ichi Fukuda ◽  
Hiroyuki Yoshida ◽  
Masanori Ozaki
Keyword(s):  
Photonic Crystals ◽  
Circular Polarization ◽  
Self Assembly ◽  
Optical Materials ◽  
Soft Matter ◽  
Surface Anchoring ◽  
Chiral Nematic ◽  
Chiral Structures ◽  
Blue Phase ◽  
Blue Phases

AbstractControlling the crystallographic orientation of 3D photonic crystals is important as it determines the behavior of light propagating through the device. Blue phases self-assemble into unique soft 3D photonic crystals with chiral structures for circular-polarization selectivity, but it has remained a challenge to control its 3D orientation. Here, we show that the orientation of blue phases can be precisely controlled to follow a predefined pattern imprinted on a substrate by exploiting field-induced phase transitions. Obtaining the blue phase through the field-induced chiral nematic phase and tetragonal blue phase X results in a highly oriented blue phase I with the crystallographic [001] direction aligned along the surface anchoring. Our approach is applied to fabricating a Bragg-Berry hologram with omnidirectional circular-polarization selectivity, where the hologram is visible only for one circular-polarization under all incident angles. Such devices are difficult to fabricate using conventional optical materials, thereby demonstrating the potential of self-organizing soft matter for photonics.

Probing Structure-Property Relationships in a Family of Aryloxyphenoxy Propionate Herbicides Using Single Crystal X-Ray Diffraction Techniques

1991 ◽  
Vol 35 (A) ◽  
pp. 641-643
Author(s):  
Philip R. Rudolf ◽  
Larry Kershner ◽  
Jim Tai
Keyword(s):  
General Structure ◽  
Optically Active ◽  
Herbicidal Activity ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Methyl Lactate ◽  
X Ray ◽  
Highly Active ◽  
Structure Property Relationships ◽  
Sulfonate Ester

Aryloxyphenoxy propionates are a widely manufactured class of highly active grass-selective herbicides for use in various crops. Examples include VERDICT (1a), FUSILADE (1b), WHIP (1c), and ASSURE (1d). Figure 1 shows the general structure of aryloxyphenoxy propionates. All of these compounds contain a chiral center and each enantiomer of the optical pair exhibits significantly different herbicidal activity. The optically active isomers can be prepared by reacting the corresponding substituted phenoxyphenol with the S-(-)methyl lactate sulfonate ester (2). However, the optical yield from this type of reaction is usually less than 85%. Optical purification can be achieved by control of the crystallization.

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