To describe charge transport properties of the Pt Chini clusters, which are an important parameter of materials used in photocatalytic processes, hole and electron reorganization energies were determined using equations ( ) and (2) -see Figure . Charge transfer reactions are associated with subtle or significant geometry modifications such as changes in bond lengths and bond angles. Reorganization energies help in understanding these processes as they represent energy losses associated with a structural change when an electron is donated or removed. They consist of internal reorganization energy, which involves changes within a molecule, and external reorganization energy, which involves changes in surrounding solvent molecules. Here, the Chini clusters were modelled in a vacuum, so the external reorganization energies were neglected. Higher reorganization energies typically result in slower charge transfer rates because more energy is required to overcome the energetic barriers associated with reorganizing the surrounding environment. Lower reorganization energies facilitate faster charge transfer processes. Based on our results, we can assume that the Chini clusters preferably act as hole transport materials (λh << λe). Notably, as the cluster size increases, electron transfer becomes more prevalent. Decreasing values of λe for larger clusters suggest that delocalization processes stabilize structures, leading to lower energy costs of electron transfer. For λh we observe fewer fluctuations in values compared to λe -all values are within the range of 0.1-0.2 eV. Increasing the size of clusters seems not to have a significant impact on the hole transfer. λh decreases for n = 2 -7, but then increases for n = 8, showing an irregular behaviour.