ICDM10

On angle-dependent resonant scattering (a.k.a. anomalous dispersion)

While it is generally assumed that [the] angular dependence [of f’ and f’’] can be neglected, our aim is to develop a quantitative theoretical evaluation of this assumption

Investigating f-block metal-metal bonding by quantum crystallography

In this work, we want to present our advances of quantum crystallography into actinide-actinide bonding at the hands of two recently found Th3 clusters, one of which is a dianion, the other a mono-anion. Hirshfeld-Atom-Refinement was employed to get an accurate structure of both clusters

Refining Anomalous Dispersion Parameters to reflect actual “oxidation states” in gold(I) compounds

The determination of the actual charge distribution around atoms remains a central challenge in modern quantum crystallography.

Experimental electronic structure of coordination compounds

Thanks to the continuous improvement of single-crystal X-ray diffractometers and data processing software, it is expected that experimental electronic structures are approaching reality. However, we still see certain differences between experimental and theoretical results.

Session 7

On angle-dependent resonant scattering (a.k.a. anomalous dispersion)

Investigating f-block metal-metal bonding by quantum crystallography

Refining Anomalous Dispersion Parameters to reflect actual “oxidation states” in gold(I) compounds

Experimental electronic structure of coordination compounds