DTU Chemistry performs X-ray crystallography, a method which elucidates the atomic construction of substances in solid phase, such as crystals or fibers. When a crystal or fiber is irradiated with X-ray, it ermits a diffraction pattern. An analysis of this pattern provides insights into the three-dimensional arrangement of atoms in the material.
To accomplish this, DTU Chemistry utilizes the SuperNova Dual Source CCD-diffractometer. This instrument comprises a four-circle kappa-goniometer combined with an Atlas CCD-detector and dual micro-sources (Cu λ = 1.5418 Å and Mo λ = 0.7107 Å) with multi-layer optics. It is used for solving X-ray single crystal structures of both small molecule and protein crystals. The diffractometer is equipped with a cryo cooling system covering -173 to 202 °C. The single-crystal samples (<0.2 mm) are mounted either on a glass tip or in a loop, which are placed on a goniometer head.
We offer structures-solving services for both academia and industry.
For further information, please contact Mariusz Kubus makub@kemi.dtu.dk
DTU Chemistry also provides comprehensive powder diffraction analysis services.
We utilize third generation Empyrean, Malvern Panalytical diffractometer, equipped with a 1Der-detector specifically designed for investigating the crystallographic properties of powdered materials (Cu λ = 1.5406 Å). The diffractometer operates in reflection mode with a 2θ range of 3-168° 2θ and transmission mode with a 2θ range of 0.5-80°. The Anton Paar TTK 600 chamber enables sample studies in temperatures between -173 and 600 °C as well as under non-ambient conditions.
This technique involves irradiating a sample with X-rays and analyzing the resulting diffraction pattern to obtain information about compounds (crystallographic phases) present in the sample, identification of impurities, unit cell parameters, and crystallites size.
Our capabilities include:
- Analyzing a wide range of powder samples, including MOFs, ceramics, minerals, nanomaterials and pharmaceuticals.
- Employing advanced techniques like Rietveld refinement for accurate structural analysis.
- Providing expert interpretation of diffraction data and assistance in selecting the optimal measurement parameters based on specific samples and research questions.