Single crystal X-ray diffraction
The most common experimental method of obtaining a detailed structure of a molecule, that allows resolution of individual atoms, single crystal X-ray diffraction (SXRD) is performed by analyzing the pattern of X-rays diffracted by an ordered array of many identical molecules (single crystal). Many pure compounds, from small molecules to organometallic complexes, proteins, and polymers, solidify into crystals under the proper conditions. When solidifying into the crystalline state, these individual molecules typically adapt one of only a few possible 3D orientations. When a monochromatic X-ray beam is passed through a single crystal, the radiation interacts with the electrons in the atoms, resulting in scattering of the radiation to produce a unique image pattern. Multiple images are recorded, with an area X-ray detector, as the crystal is rotated in the X-ray beam. Computationally intensive analysis of a set images results in a solution for the 3D structure of the molecule.
Systems
- Small molecule single crystal X-ray diffraction
- Macromolecular single crystal X-ray diffraction
- Automation systems