10.18453/rosdok_id00004707 Huang, Junhao Junhao Huang http://d-nb.info/gnd/135054597X Universität Rostock 2023 540 Chemistry & allied sciences 2023 en https://purl.uni-rostock.de/rosdok/id00004707 urn:nbn:de:gbv:28-rosdok_id00004707-5 In this dissertation, a series of isolated palladium catalysts were constructed, and the effect of support type, including oxide and nitride supports, on the charge state of the palladium center was investigated. Based on the periodic trend in electronegativity, a correlation was established between the formal oxidation state, computed Bader charge, and CO vibrational frequency, allowing the identification of appropriate models to better understand the coordination and electronic structure of palladium sites.