KU Home : X-Ray Chrystallography Laboratory
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Small-Molecule
X-Ray Crystallography Lab
Director: Victor
Day, Ph.D.
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This lab
uses diffraction methods to determine high-precision three-dimensional
crystal structures of small molecules and to identify polycrystalline
materials. We are part of the Molecular
Structures Group (MSG) at KU, a campus wide facility encompassing
NMR, Mass Spectrometry, X-ray Crystallography (large and small), Biochemical
Services, and Molecular Graphics and Modeling Laboratories.
Single crystals
are studied with molybdenum radiation using the in-house Bruker SMART
APEX diffractometer that is equipped with a charge-coupled device (CCD)
area detector and an Oxford Cryostream low temperature device. Most single-crystal
studies are conducted at a temperature of 100K but studies can be performed
at any temperature between room temperature and 80K. Data for very small
or poorly-diffracting single crystals or samples which require highly
accurate anomalous dispersion data are presently collected off-campus
using copper radiation on a Bruker Proteum CCD area detector equipped
with special x-ray optics and a rotating anode. The single crystal studies
range from the use of x-ray crystallography as a routine analytical tool
for identifying reaction products to detailed studies of bonding subtleties
in complex inorganic molecules and hydrogen-bonded organic species. Although
the lab always prefers to work with single-domain specimens, it routinely
determines structures for twinned samples with multiple domains when single-domain
crystals cannot be obtained. Final structural results can usually be obtained
within 24 hours of the start of data collection.
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