Geometry and ground-state electronic structure of neutral ruthenium metal complexes of potential relevance to metal-based drugs for cancer control

There is considerable current interest in some Ru metal complexes in relation to the general area of metal-based drugs for cancer control. Therefore, we stress here the potential role of quantum chemical modelling as an aid to cancer technology in the above area. Prompted by earlier experience on the role of a Ru metal surface in influencing the geometry of small adsorbed molecules (e.g. H2O outside metallic Ru) we here consider models of specific neutral metal complexes with a single Ru atom which are relevant in this area of cancer control using metal-based drugs. In particular, geometries plus some ground-state electronic structure properties are presented using quantum chemical methods.