The electronic structure of carbones revealed: insights from valence bond theory
Remco W. A. Havenith, Ana V. Cunha, Johannes E. M. N. Klein, Francesca Perolari, Xintao Feng
Abstract
, which is a typical dative bond, and we studied its charge-shift bond character. We found that the C-CO bond in carbon suboxide is unique in the sense that it cannot be assigned as either a dative or electron sharing bond, but it is an admixture of electron sharing and dative components, together with a high contribution of ionic character. These findings provide a clear basis for distinguishing the commonly found dative bonds between ligands and transition metals and the present case of what may be described as coordinative bonding to carbon.
Topics & Concepts
Valence bond theoryAlleneValence (chemistry)Generalized valence bondElectronic structureChemistryBondModern valence bond theoryChemical bondComputational chemistryMoleculeOrganic chemistryMolecular orbitalEconomicsCatalysisFinanceCatalysis and Oxidation ReactionsOrganometallic Complex Synthesis and CatalysisOxidative Organic Chemistry Reactions