%0 Generic %A Benedek, Zsolt %A Szilvási, Tibor %D 2017 %T Theoretical Assessment of Low-Valent Germanium Compounds as Transition Metal Ligands: Can They Be Better than Phosphines or NHCs? %U https://acs.figshare.com/articles/dataset/Theoretical_Assessment_of_Low-Valent_Germanium_Compounds_as_Transition_Metal_Ligands_Can_They_Be_Better_than_Phosphines_or_NHCs_/4871699 %R 10.1021/acs.organomet.7b00155.s002 %2 https://acs.figshare.com/ndownloader/files/8107367 %K Theoretical Assessment %K transition metal catalysis %K phosphine ligands %K π- acceptor ability %K NHC %K Transition Metal Ligands %K germanium-based ligand %K σ- donor strength %K ligand-to-metal charge transfer %K Low-Valent Germanium Compounds %K steric parameters %K σ- donor %K low-valent germanium compounds %K transition metal ligand properties %X We analyze the key transition metal ligand properties, σ-donor and π-acceptor ability, ligand-to-metal charge transfer, and steric parameters, using theoretical methods in order to examine 144 synthesized low-valent germanium compounds as potential ligands in homogeneous transition metal catalysis. We compare these features to those of currently widely used ligands (carbenes, phosphines). We find that several low-valent germanium compounds discovered lately, especially Ge(0) and double-donor-stabilized Ge­(II) compounds, can easily outperform phosphine ligands in σ-donor strength or reach the strength of NHCs. We set up a databank in which one can find the most suitable germanium-based ligand to promote different homogeneous catalytic steps. We present the factors behind the favorable features of low-valent germanium compounds, which may help to design new low-valent germanium compounds with enhanced properties in the future. %I ACS Publications