Welcome to I19

I19: Small Molecule Single Crystal Diffraction

I19 is now accepting proposals for Rapid Access Mode.

Single-crystal X-ray diffraction techniques are considered the definitive means of determining the structure of a molecular material. It is an indispensable pillar of synthetic chemistry as it provides definitive confirmation that a target material has been formed. X-ray crystallography, using single-crystal methods, also provides the most accurate means of following the response of a molecular structure to an external influence such as the variation of the thermodynamic variables of pressure and temperature, photo-excitation or, for porous systems, the exchange of a gas.

Thompson et al.

Champness et al.

Leigh et al.

Nitschke et al.

Winpenny et al.

The high photon flux offered by the beamline allows crystal structure studies of samples that are too weakly scattering, due to either their size or the complexity of their underlying molecular structure, to be successfully carried out using any other X-ray source. These studies underpin chemistry and materials science in strategically important areas such as:

Energy storage and carbon capture materials, e.g. metal organic framework systems
Pharmaceutical science
Supramolecular chemistry and self-assembly systems
Superconducting and magnetic materials

The photon energy can be tuned in the range 5 keV to 25 keV (corresponding to a wavelength range of 2.5 Å to 0.5 Å) with a bandpass of 10^-4. This energy tuning capability, which is unique to synchrotron sources, allows crystallographic studies using anomalous dispersion techniques. The narrow bandpass provides sufficient resolution to discriminate specific oxidation states of heavy elements.

Apart from structural chemistry studies, which are carried out in EH1, the beamline offers a variety of sample environment equipment in EH2 allowing structural changes to be mapped under the influence of an external effect. The techniques include:

Variable temperature studies using open-flow and closed-cycle cryostats, and an open-flow furnace
Variable pressure studies using diamond-anvil cells
Gas exchange in porous materials
Time-resolved studies of photo-excited states

Publications for I19

For experiments in EH1
A Novel Dual Air-Bearing Fixed-χ Diffractometer for Small-Molecule Single-Crystal X-ray Diffraction on Beamline I19 at Diamond Light Source
David R. Allan, Harriott Nowell, Sarah A. Barnett, Mark R. Warren, Adrian Wilcox, Jeppe Christensen, Lucy K. Saunders, Andrew Peach, Mark T. Hooper, Ljubo Zaja, Suren Patel, Leo Cahill, Russell Marshall, Steven Trimnell, Andrew J. Foster, Trevor Bates, Simon Lay, Mark A. Williams, Paul V. Hathaway, Graeme Winter, Markus Gerstel and Ron W. Wooley

For experiments in EH2
I19, the small-molecule single-crystal diffraction beamline at Diamond Light Source
Harriott Nowell, Sarah A. Barnett, Kirsten E. Christensen, Simon J. Teat and David R. Allan

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Philip Chater

I19 Small Molecule Single Crystal Diffraction