We propose the purchase of a single-crystal X-ray diffractometer to fill
a major void in equipment needs for the Department of Chemistry. An X-ray diffractometer uniquely provides a picture of the molecular and electronic structure of solid chemical substances by determining what arrangement of atoms would cause a particular pattern of X-rays to be diffracted at many angles from a crystal. A sophisticated computer is required because literally thousands of diffraction angles must be measured for subsequent full-matrix, least-squares calculation of a Fourier series.
Commercial instruments have been common in chemistry departments at universities since the 1960's; however, data collection, solution, and refinement of crystal structures were extremely complicated and labor intensive. Advances in computer technology within the last twenty years have now made these operations routine and simple enough to be done by even undergraduate students. This piece of equipment has applications
not only within the Department of Chemistry, but also for instruction and
research in biology, geology, and physics as well as for collaborative
work with industry and governmental agencies. For example, NASA grows
crystals in space as a routine part of many missions of the Space
Shuttle. While the external reviewer would probably not rank an X-ray
diffractometer as the highest priority item needed to bring the present
D.A. program to the Ph.D. level, it is a common resource in departments
that we strive to emulate. Chemistry classes that could be impacted and
other potential applications follow:
General Instructional Impact: The ORTEP software of this system allows the faculty to produce three-dimensional drawings of molecules and crystal structures for use as graphics in their lectures from freshman chemistry to graduate courses. Data bases of atomic coordinates are available.
Physical Chemistry: The laboratories can use an X-ray diffractometer to study crystallography, Rayleigh scattering, electron density, and thermal motion (CHEM 402/502, 422/522, and 429/529); about 15 students per year.
Advanced Organic and Inorganic Chemistry: The laboratories can employ the X-ray diffractometer to solve organic, organometallic, and inorganic crystal structures (CHEM 424/524, 426, and 616); about 20 students per year.
Polymer Chemistry and Materials Science: This laboratory could use
an X-ray diffractometer to determine how the crystallographic lattice and molecular packing effect the physical properties of polymers and other materials (CHEM 400); about 10 students per year.
Undergraduate and Graduate Research: An X-ray diffractometer would be the central instrument for research projects by undergraduate (SCI 400 and CHEM 250, 350, and 450) and both M.S. and D.A. graduate students (CHEM 662, 664, 665, 713, 714, and 764; SCI 500, 542, and 666); 5-10 students per year.
