Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2017 · 24 citations · 38 references
Natural SciencesBiochemistryChemistryComputational ChemistryMolecular RecognitionSupramolecular ChemistryAcid-base ChemistryChemical BondingIntermolecular ForcesIntermolecular InteractionsLigand BindingMolecular BondingBidentate Ligand BindingHydrogen Bond GeometryHydrogen BondingHydrogen Bonding In Ligand BindingHydrogen Bonding In Molecular RecognitionLewis AcidityLigand ComplementarityReceptor-ligand Complementarity Analysis
The halogen bond (XB) is a topical noncovalent interaction of rapidly increasing importance. The XB employs a `soft' donor atom in comparison to the `hard' proton of the hydrogen bond (HB). This difference has led to the hypothesis that XBs can form more favorable interactions with `soft' bases than HBs. While computational studies have supported this suggestion, solution and solid-state data are lacking. Here, XB soft-soft complementarity is investigated with a bidentate receptor that shows similar associations with neutral carbonyls and heavy chalcogen analogs. The solution speciation and XB soft-soft complementarity is supported by four crystal structures containing neutral and anionic soft Lewis bases.
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<b>Hard and Soft Acids and Bases</b>
Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations
Halogen bonds in biological molecules
Pascal Auffinger, Franklin A. Hays, Éric Westhof et al. · Proceedings of the National Academy of Sciences · 2004 · 1.6K citations · Full text