Curving deformation-induced photoluminescence changes and anisotropy analysis in elastic organic crystals

CrystEngComm ◽  
2021 ◽  
Author(s):  
Shotaro Hayashi
Keyword(s):  
Physical Properties ◽  
Molecular Crystals ◽  
Mechanical Deformation ◽  
Organic Crystal ◽  
Organic Crystals ◽  
Materials Chemistry

Mechanical deformation-induced physical properties changes of flexible molecular crystals are unique topics in materials chemistry. Here, the mechanically curving-induced photoluminescence (PL) and PL anisotropy changes in an elastic organic crystal...

scholarly journals Elastic Organic Crystals of π-Conjugated Molecules: New Concept for Materials Chemistry

Symmetry ◽  
2020 ◽  
Vol 12 (12) ◽  
pp. 2022
Author(s):  
Shotaro Hayashi
Keyword(s):  
Small Molecules ◽  
Single Crystals ◽  
State Of The Art ◽  
Functional Materials ◽  
Molecular Structures ◽  
Organic Crystal ◽  
Organic Crystals ◽  
Materials Chemistry ◽  
Conjugated Molecules ◽  
Recent Emergence

It is generally believed that organic single crystals composed of a densely packed arrangement of anisotropic, organic small molecules are less useful as functional materials due to their mechanically inflexible and brittle nature, compared to polymers bearing flexible chains and thereby exhibiting viscoelasticity. Nevertheless, organic crystals have attracted much attention because of their tunable optoelectronic properties and a variety of elegant crystal habits and unique ordered or disordered molecular packings arising from the anisotropic molecular structures. However, the recent emergence of flexible organic crystal materials showing plasticity and elasticity has considerably changed the concept of organic single crystals. In this review, the author summarizes the state-of-the-art development of flexible organic crystal materials, especially functional elastic organic crystals which are expected to provide a foothold for the next generation of organic crystal materials.

Organic crystal-binding peptides: morphology control and one-pot formation of protein-displaying organic crystals

Nanoscale ◽  
2015 ◽  
Vol 7 (47) ◽  
pp. 20155-20163 ◽  
Author(s):  
Teppei Niide ◽  
Kyohei Ozawa ◽  
Hikaru Nakazawa ◽  
Daniel Oliveira ◽  
Hitoshi Kasai ◽  
...  
Keyword(s):  
Crystal Morphology ◽  
Protein Immobilization ◽  
Morphology Control ◽  
Organic Crystal ◽  
Organic Crystals ◽  
One Pot ◽  
Binding Peptide ◽  
Simultaneous Control ◽  
Crystal Binding ◽  
Binding Peptides

We generated perylene crystal-binding peptide, which can be used for simultaneous control of perylene crystal morphology, dispersion, and protein immobilization on the crystals.

Growth and physical properties of an organic crystal for NLO applications: Guanidinium phenyl arsonate (GPA)

Optik ◽  
2014 ◽  
Vol 125 (1) ◽  
pp. 141-145 ◽  
Author(s):  
A. Suvitha ◽  
P. Vivek ◽  
P. Murugakoothan
Keyword(s):  
Physical Properties ◽  
Organic Crystal

IV. The Micellar Theory of the Structure of Rubber

1942 ◽  
Vol 15 (3) ◽  
pp. 446-451
Author(s):  
G. Gee
Keyword(s):  
Molecular Weight ◽  
Physical Properties ◽  
Infinite Dilution ◽  
Mechanical Deformation ◽  
Point Of View ◽  
Pressure Measurements ◽  
Physical Behavior ◽  
Molecular Weights ◽  
Micelle Size ◽  
Weight Data

Abstract The molecular weight data reported in Part II depend on the assumption that the values obtained by extrapolating osmotic pressure measurements to infinite dilution represent true molecular weights. This point of view has been strongly criticized, particularly by Pummerer and his coworkers, according to whom rubber normally exists in solution in the form of micelles comprising more or less well-defined aggregates containing a considerable number of chemical molecules. The- osmotic “molecular weight” is then regarded as the weight of an average micelle. If they exist, these micelles may be important in determining both the chemical and physical behavior of rubber, for we should clearly expect the bonds by which the chemical molecules are bound into micelles to be weaker than those within the molecules. It may be noted that it has been shown elsewhere that the physical properties of a series of rubber fractions are closely related to their osmotic and viscosity molecular weights. Since, according to the micellar theory, these fractions can differ only in micelle size, their mechanical behavior must, from this viewpoint, be determined by the size of the micelles, which must therefore remain intact during mechanical deformation of the rubber. It is the object of the present paper to examine in more detail the basis of the micellar theory, and especially to offer an interpretation of the results of the East method, on which Pummerer's arguments are mainly based.

scholarly journals Modeling of the optical properties of molecular crystals

2014 ◽  
Vol 70 (a1) ◽  
pp. C384-C384
Author(s):  
Tomasz Seidler ◽  
Marlena Gryl ◽  
Benoît Champagne ◽  
Katarzyna Stadnicka
Keyword(s):  
Good Accuracy ◽  
Molecular Crystals ◽  
Electronic Structure Calculations ◽  
Organic Crystals ◽  
Susceptibility Tensor ◽  
Uniform Embedding ◽  
Two Component ◽  
Interaction Scheme ◽  
Electric Susceptibility ◽  
Structure Calculations

In this contribution we present our current findings in the calculations of the linear and second-order nonlinear electric susceptibility tensor components of organic crystals. The methodology used for this purpose is based on a combination of the electrostatic interaction scheme developed by Hurst and Munn (Hurst & Munn, 1986) with electronic structure calculations for the isolated molecules. Our modification of the method consists in i) running periodic boundary condition (PBC) calculations for an adequate chromophore geometry (either experimental or optimized) to obtain atomic charges and in ii) performing the calculations of the molecular properties within a non-uniform embedding field generated by point charges located spherically around the reference molecule. Using this approach good accuracy is achieved on the electric susceptibility tensor components in comparison with the uniform dipole electric field (Seidler et al., 2013). We extend here the application of this method to other molecular crystals as well as we present the first attempt to predict the chi(1) and chi(2) components of two-component organic crystals (Gryl et al., 2014).

A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4 with attractive physical properties

CrystEngComm ◽  
2016 ◽  
Vol 18 (10) ◽  
pp. 1818-1824 ◽  
Author(s):  
Xiaolong Liu ◽  
Guangqiang Wang ◽  
Yangyang Dang ◽  
Shaojun Zhang ◽  
Hanlin Tian ◽  
...  
Keyword(s):  
Physical Properties ◽  
Nonlinear Optical ◽  
Second Order ◽  
Organic Crystal

In this study, a hybrid semi-organic crystal of ZnMnCl4(TPPO)4 for second-order nonlinear, magnetic and luminous applications has been designed, synthesized and grown from a guest–host combination of MnCl2(TPPO)2 and ZnCl2(TPPO)2 and its formation is bidirectional.

Metal-like Ductility in Organic Plastic Crystals: Role of Molecular Shape and Dihydrogen Bonding Interactions in Aminoboranes

2020 ◽  
Author(s):  
Amit Mondal ◽  
Biswajit Bhattacharya ◽  
SUSOBHAN DAS ◽  
Surojit Bhunia ◽  
Rituparno Chowdhury ◽  
...  
Keyword(s):  
Molecular Crystals ◽  
Molecular Shape ◽  
High Symmetry ◽  
Organic Crystals ◽  
X Ray Diffraction ◽  
X Ray ◽  
Plastic Crystals ◽  
Dihydrogen Bonding ◽  
Slip Planes

Ductility, which is a common phenomenon in most metals and metal-based alloys, is hard to achieve in molecular crystals. Organic crystals have been recently shown to deform plastically, but only on one or two faces, and fracture when stressed in any other arbitrary direction. Here, we report an exceptional metal-like ductility in crystals of two globular molecules, BH<sub>3</sub>NMe<sub>3</sub> and BF<sub>3</sub>NMe<sub>3</sub>, with characteristic stretching, necking and thinning with deformations as large as ~ 500%. Surprisingly, the mechanically deformed samples not only retained good long range order, but also allowed structure determination by single crystal X-ray diffraction. Molecules in these high symmetry crystals interact predominantly via electrostatic forces (B<sup>–</sup>–N<sup>+</sup>) and form columnar structures, thus forming multiple slip planes with weak dispersive forces among columns. While the former interactions hold molecules together, the latter facilitate exceptional malleability. On the other hand, the limited number of facile slip planes and strong dihydrogen bonding in BH<sub>3</sub>NHMe<sub>2</sub> negates ductility. We show the possibility to simultaneously achieve both exceptional ductility and crystallinity in solids of certain globular molecules, which may enable designing highly modular, easy-to-cast crystalline functional organics, for applications in barocalorimetry, ferroelectrics and soft-robotics.

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