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X-ray Crystallography

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.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

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Related Experiment Video

Updated: Jun 14, 2025

$Microcrystallography of Protein Crystals and In Cellulo Diffraction$

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

Methods in molecular photocrystallography.

Lauren E Hatcher¹, Mark R Warren², Paul R Raithby³

¹School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff, CF10 3AT, United Kingdom.

Acta Crystallographica. Section C, Structural Chemistry

|September 3, 2024

Summary

This summary is machine-generated.

Photocrystallography uses X-ray crystallography to study light-activated molecules in real-time. This technique enables the determination of molecular structures in excited states, crucial for developing new functional materials.

Keywords:

LEDs XFELs absorption spectra excited states lasers lifetimes metastable molecules photocrystallography pump-multiprobe experiments pump-probe experiments single-crystal X-ray diffraction synchrotrons time-resolution

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Area of Science:

Solid-state chemistry
Photochemistry
Materials science

Background:

Real-time studies of solid-state chemical processes have advanced significantly.
Light-matter interactions are key for functional materials in optoelectronics and sensors.
Photocrystallography is vital for understanding these interactions.

Purpose of the Study:

To review photocrystallographic techniques for studying light-activated molecules.
To outline methodologies for different excited-state lifetimes.
To highlight the importance of complementary analytical methods.

Main Methods:

Single-crystal X-ray crystallography is used to determine 3D structures.
Advances in lasers, detectors, synchrotrons, and XFELs enable studies across timescales.
Methodologies are adapted for excited states with lifetimes from minutes to picoseconds.

Main Results:

Photocrystallography can now determine structures of excited-state molecules with picosecond lifetimes.
The complexity of methods increases as excited-state lifetimes decrease.
Successful studies span various timescales, demonstrating technique versatility.

Conclusions:

Photocrystallography is a powerful tool for investigating light-activated molecules in the solid state.
Technological advancements have expanded the accessible timescale for these studies.
Integrated analytical approaches are essential for a comprehensive understanding of solid-state processes.