Speaker: Prof. Florian Kleemiß, Institute of Inorganic Chemistry, RWTH Aachen.

Topic:
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.

Series: STOE User Talks 2024/2025

Time: 43 min.