Organometallics · 2022 · 13 citations · 38 references
Natural SciencesChemistryComputational ChemistryOrganic ChemistryOrganometallic ChemistryCoordination ChemistryExcluded Volume ModelingLigand BindingBuried Volume AnalysisLigand DesignLigand Effects On ReactivityLigand Steric EffectsPercent Buried VolumeSteric BulkSteric Properties
Steric properties of ligands are an important parameter for tuning the reactivity of the corresponding complexes. For various ligands used in mononuclear complexes, methods have been developed to quantify their steric bulk. In this work, we present an expansion of the buried volume and the G-parameter to quantify the steric properties of 1,8-napthyridine-based dinuclear complexes. Using this methodology, we explored the tunability of the steric properties associated with these ligands and complexes.
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Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations
Natural Sciences, Chemistry, Physics +17