MRI: Acquisition of Single-Crystal X-ray Diffractometer

Brandeis University, Waltham MA

Investigators

Abstract

With support from the Major Research Instrumentation (MRI) Program, the Department of Chemistry at Brandeis University will acquire a single-crystal X-ray diffractometer with CCD detector and low temperature capability. By careful analyses of detailed structural chemical data, made possible by the enhanced capabilities of the new instrument, the five major users will: (i) address the relationship between ligand design and catalytic behavior of organometallic compounds as catalysts for carbon-carbon and carbon-heteroatom coupling reactions and carbon-hydrogen bond activation; (ii) expedite total synthesis and methods development by determination of the structure and stereochemistry of intermediates and final products in real time; (iii) explore the origin of enantioselectivity in practical and efficient organic catalysis; and (iv) promote the control of reaction products and stereochemistry using the solid state as a synthetic medium. The X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and it provides accurate information about the spatial arrangement of the molecule relative to the neighboring molecules. These studies will have an impact in a number of areas, especially synthetic chemistry.