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Determination of Crystal Structures

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...

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X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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$X-ray Diffraction of Biological Samples$ 01:10

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Crystallization is a phase transformation process in which crystals are precipitated from a supersaturated solution or formed from other sources. During crystallization, atoms or molecules arrange themselves into a well-defined, rigid crystal lattice to minimize energy.
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Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Author Spotlight: Advancing Protein Structure Analysis for Drug Development

Published on: March 8, 2024

Crystallography for university research: some basic case studies.

Aurelien Crochet¹

¹University of Fribourg, Fribourg Center for Nanomaterials (FriMat), Department of Chemistry, Chemin du Musée 9, CH-1700 Fribourg, Switzerland.

|July 2, 2014

Summary

This study reviews advanced X-ray diffraction methods for university research. It demonstrates how X-ray powder and single-crystal diffraction can identify material structures, polymorphs, coatings, and enantiomers.

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Area of Science:

Materials Science
Crystallography
Analytical Chemistry

Background:

University research increasingly requires advanced analytical techniques.
Diffraction methods are crucial for understanding material structure and properties.
Access to state-of-the-art equipment can be a limiting factor.

Purpose of the Study:

To provide an overview of commonly available, state-of-the-art diffraction techniques for university research.
To illustrate the capabilities of X-ray powder and single-crystal diffraction using chemical case studies.
To guide scientists in utilizing diffraction for material structure determination and identification.

Main Methods:

X-ray powder diffraction (XRPD)
X-ray single-crystal diffraction (SCXRD)
Case studies from a university crystallography service.

Main Results:

Demonstration of XRPD and SCXRD for determining the structure of crystalline materials.
Application of diffraction techniques for identifying polymorphs, surface coatings, and enantiomers.
Highlighting the practical utility of these methods in chemical research.

Conclusions:

X-ray diffraction techniques offer powerful tools for material characterization in academic settings.
Understanding diffraction principles enables effective structure elucidation and material identification.
The presented case studies showcase the versatility and applicability of diffraction in diverse chemical research areas.