Intellectual Merit

Crystal structure determination is key for rationalizing structure-properties relationships in molecules and materials, and is therefore essential in the development of materials with new properties and function and in the development of catalysts with applications in energy storage or fuel production. This proposal was for the purchase a diffractometer in order to enhance crystallographic opportunities at University of California Davis and at Northern California Primarily Undergraduate Institutions, since this is essential to support vibrant research programs in inorganic and organic chemistry that span new materials and new catalyst applications. The PI’s are involved in broad research encompassed by energy and catalysis: the study of catalysts, fullerenes, single molecule magnets, superconductors, thermoelectric materials, and complex organic solids.  

Broader Impact

This infrastructure support directly benefits a large number of scientists at UC Davis and surrounding institutions and facilitated human resource development through educational activities at the graduate, undergraduate and high school level. Over the grant period the instrument was used by 58 different users who have trained to independently collect data on samples. These 58 users represent 22 different research labs in the Department of Chemistry. 806 samples were examined using the instrument over the period that includes 896 days (615 of these days were work days and the instrument routinely runs on weekends and holidays). The instrument has facilitated efficient data collection for a broad range of inorganic chemistry, organic chemistry, and materials chemistry research programs. The instrument is used in conjunction with a graduate-level course in crystallography which is taught every year at Davis and available to all graduate and undergraduate students. The instrument is used to collect samples produced by students in the UC Davis ChemEnergy REU program and the REU students have the opportunity to observe sample mounting and collection and refinement under the guidance of their graduate student mentor. The research products are broadly disseminated through publications in peer reviewed journals and conference presentations. The PI's and co-PI's on the grant have disseminated research findings including results obtained from crystallographic experiments at 6 National ACS Meetings in the past 3 years, in multiple seminars at Gordon Research Conferences, and at other national and international meetings. Presentations have been given by PI’s and students and at least 100 presentations including the work have been presented. The work has also been published in peer-reviewed scientific literature. At the time of this report, 21 publications have appeared in press, 4 more had been submitted and at least 10 more are in preparation.

Last Modified: 12/27/2018
Modified by: Louise Berben