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STOE USER TALK: ORIGINAL STADIVARI SETUP FOR MULTI-STIMULI AND TIME-RESOLVED CRYSTALLOGRAPHY

Crystallography of functional materials aims for explaining the observed functional properties based on the underlying structural features, ideally in in-operando or in-situ conditions. We present a laboratory single-crystal X-ray diffraction (XRD) setup designed for the measurement of static and time-resolved XRD patterns as a function of temperature, light irradiation, pressure, and electric field. …

47 min.

STOE USER TALK: HOW INTEGRATE3D HELPS SEEING SPIN STATES: A USER PERSPECTIVE

The investigation of spin states of metal centers within a complex remains a challenge to this day, despite improvements in model quality and sophistication. The new Integrate3D software allows the use of diffraction data to the fullest extend, allowing a much clearer distinction of residual density features left in a structure model (right, Integrate 3D) from noise introduced by the integration (left, X-Area integrate). Using Integrate3D we were able to measure in-house data that can indisputably distinguish two spin states of an iron center in Mohr’s salt-hexahydrate.
43 min

STOE USER TALK: STRUCTURE DETERMINATION OF [NH4][SeCN] AND ITS REACTIVITY TOWARDS Ag[SeCN]

About 200 years ago, ammonium cyanate, [NH4][OCN], was obtained by Liebig and Wöhler as a fluffy, white powder from the reaction of dry ammonia with cyanic acid. They also noticed its rearrangement at room temperature into urea, [NH2]2CO, a compound which has the same sum formula as ammonium cyanate.[1,2] From this the concept of isomerism was deduced and remains unchanged until today […]

26 min.