om7b00155_si_002.txt (1.65 MB)
Theoretical Assessment of Low-Valent Germanium Compounds as Transition Metal Ligands: Can They Be Better than Phosphines or NHCs?
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posted on 2017-04-12, 18:49 authored by Zsolt Benedek, Tibor SzilvásiWe 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.
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Theoretical Assessmenttransition metal catalysisphosphine ligandsπ- acceptor abilityNHCTransition Metal Ligandsgermanium-based ligandσ- donor strengthligand-to-metal charge transferLow-Valent Germanium Compoundssteric parametersσ- donorlow-valent germanium compoundstransition metal ligand properties
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