Nanotechnology Now

Our NanoNews Digest Sponsors
Heifer International



Home > Press > Charge density and optical properties of multicomponent crystals

APIs in the design of multi-component functional solids are shown.
CREDIT: Marlena Gryl
APIs in the design of multi-component functional solids are shown.

CREDIT: Marlena Gryl

Abstract:
Optical materials serve a major role in modern sciences and technology. Many of the devices we use feature technology resulting from material discoveries in this fast moving area of research. Nowadays, the need for more efficient devices and minimisation in optoelectronics requires a novel approach towards crystal engineering of functional solids. A solution can be multicomponent materials built from either organic or mixed organic and inorganic components selected in a specific way, to combine molecular and structural properties to form a 3D architecture. Optical properties of a crystal strongly depend on two factors, i.e. the spatial distribution of molecules in the crystal structure and the electronic properties of molecular building blocks. The latter are easy to predict whereas the former are not. Crystal symmetry is often a key to obtaining a desired property. Noncentrosymmetric crystal structure (chiral/polar) is a necessary (limiting) condition for such properties as nonlinear properties of even order and linear properties like optical activity, piezoelectricity, pyroelectricity and ferroelectricity. However, fulfilling symmetry rules does not guarantee the existence of a physical effect. The choice of building blocks is crucial; in ideal cases, push-pull molecules should be linked with constituents enabling synthon formation flexibility.

Charge density and optical properties of multicomponent crystals

Chester, UK | Posted on August 9th, 2015

Active pharmaceutical ingredients (APIs), through their favourable donor/acceptor spatial distribution and synthon formation flexibility, are attractive building blocks in modern materials crystallography. An API is a substance or a mixture of substances used in the manufacture of a drug product and which becomes an active ingredient in the drug product itself. Here, a Polish scientist (working in Professor Katarzyna Stadnicka's group at the Jagiellonian University in Kraków) presents design strategies for optical materials based on selected pharmaceutical molecules [Gryl (2015). Acta Cryst. B71, 392-405; doi:10.1107/S2052520615013505]. Gryl successfully presents the factors that contribute to molecular recognition in the four selected polar/chiral crystal phases. Theoretically predicted optical properties of the molecular/ionic building blocks as well as bulk effects were all confirmed experimentally. This work shows that quantitative crystal engineering techniques combining structural analysis, charge density studies, prediction of properties and their measurements enable the full analysis of the obtained functional materials in terms of their usefulness in practical applications. The study is just a first step in the design of novel optical materials based on push-pull molecules and APIs.

This work presents an alternative application for pharmaceutical solids that are of major interest in the pharmaceutical industry. Dr Gryl's journey with optical materials based on API started with three polymorphs of urea and barbituric acid adduct [Gryl, Krawczuk & Stadnicka (2008). Acta Cryst. B64, 623-632; doi:10.1107/S0108768108026645]. The co-crystals display synthon polymorphism (a possibility to use the same donor and acceptor sites in many ways) and hence enable the manipulation of the outcome of the engineering process. Why not use the same "flexible" molecules and incorporate them in a lattice containing components with high molecular (hyper)polarizability? This is a next step in Dr Gryl's research. First, of course, as much as possible needs to be known about the selected building blocks and there is no better way than to study crystal structures containing those building blocks.

####

For more information, please click here

Contacts:
Dr. Jonathan Agbenyega

44-124-434-2878

Copyright © International Union of Crystallography

If you have a comment, please Contact us.

Issuers of news releases, not 7th Wave, Inc. or Nanotechnology Now, are solely responsible for the accuracy of the content.

Bookmark:
Delicious Digg Newsvine Google Yahoo Reddit Magnoliacom Furl Facebook

Related News Press

News and information

Researchers develop artificial building blocks of life March 8th, 2024

How surface roughness influences the adhesion of soft materials: Research team discovers universal mechanism that leads to adhesion hysteresis in soft materials March 8th, 2024

Two-dimensional bimetallic selenium-containing metal-organic frameworks and their calcinated derivatives as electrocatalysts for overall water splitting March 8th, 2024

Curcumin nanoemulsion is tested for treatment of intestinal inflammation: A formulation developed by Brazilian researchers proved effective in tests involving mice March 8th, 2024

Nanomedicine

High-tech 'paint' could spare patients repeated surgeries March 8th, 2024

Researchers develop artificial building blocks of life March 8th, 2024

Curcumin nanoemulsion is tested for treatment of intestinal inflammation: A formulation developed by Brazilian researchers proved effective in tests involving mice March 8th, 2024

The Access to Advanced Health Institute receives up to $12.7 million to develop novel nanoalum adjuvant formulation for better protection against tuberculosis and pandemic influenza March 8th, 2024

Discoveries

What heat can tell us about battery chemistry: using the Peltier effect to study lithium-ion cells March 8th, 2024

Researchers’ approach may protect quantum computers from attacks March 8th, 2024

High-tech 'paint' could spare patients repeated surgeries March 8th, 2024

Nanoscale CL thermometry with lanthanide-doped heavy-metal oxide in TEM March 8th, 2024

Materials/Metamaterials/Magnetoresistance

How surface roughness influences the adhesion of soft materials: Research team discovers universal mechanism that leads to adhesion hysteresis in soft materials March 8th, 2024

Nanoscale CL thermometry with lanthanide-doped heavy-metal oxide in TEM March 8th, 2024

Focused ion beam technology: A single tool for a wide range of applications January 12th, 2024

Catalytic combo converts CO2 to solid carbon nanofibers: Tandem electrocatalytic-thermocatalytic conversion could help offset emissions of potent greenhouse gas by locking carbon away in a useful material January 12th, 2024

Announcements

What heat can tell us about battery chemistry: using the Peltier effect to study lithium-ion cells March 8th, 2024

Curcumin nanoemulsion is tested for treatment of intestinal inflammation: A formulation developed by Brazilian researchers proved effective in tests involving mice March 8th, 2024

The Access to Advanced Health Institute receives up to $12.7 million to develop novel nanoalum adjuvant formulation for better protection against tuberculosis and pandemic influenza March 8th, 2024

Nanoscale CL thermometry with lanthanide-doped heavy-metal oxide in TEM March 8th, 2024

Interviews/Book Reviews/Essays/Reports/Podcasts/Journals/White papers/Posters

Researchers develop artificial building blocks of life March 8th, 2024

How surface roughness influences the adhesion of soft materials: Research team discovers universal mechanism that leads to adhesion hysteresis in soft materials March 8th, 2024

Curcumin nanoemulsion is tested for treatment of intestinal inflammation: A formulation developed by Brazilian researchers proved effective in tests involving mice March 8th, 2024

Nanoscale CL thermometry with lanthanide-doped heavy-metal oxide in TEM March 8th, 2024

Photonics/Optics/Lasers

Nanoscale CL thermometry with lanthanide-doped heavy-metal oxide in TEM March 8th, 2024

Optically trapped quantum droplets of light can bind together to form macroscopic complexes March 8th, 2024

HKUST researchers develop new integration technique for efficient coupling of III-V and silicon February 16th, 2024

A battery’s hopping ions remember where they’ve been: Seen in atomic detail, the seemingly smooth flow of ions through a battery’s electrolyte is surprisingly complicated February 16th, 2024

NanoNews-Digest
The latest news from around the world, FREE




  Premium Products
NanoNews-Custom
Only the news you want to read!
 Learn More
NanoStrategies
Full-service, expert consulting
 Learn More











ASP
Nanotechnology Now Featured Books




NNN

The Hunger Project