The subject of this thesis is the study of the reduction-oxidation chemistry of ruthenium coordination compounds in the presence of reactive oxygen species (ROS). KP1019 and NAMI-A, two ruthenium compounds currently in clinical trials, were chosen as model systems to study chemical reactions using a Density Functional Theory (DFT) method. The objective of this thesis is to gain knowledge of the chemistry of these compounds in the presence of hydrogen peroxide and potential follow-up reactions.

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... hereby we want to help contributing to the elucidation of possible reaction mechanisms of KP1019 and NAMI-A type compounds with ROS. In the end, the goal is to draw conclusions concerning the possible reduction-oxidation chemistry of ruthenium anticancer coordination compounds in vivo.