Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron‐Density Acceptors**
Miriam Calabrese, Rosa M. Gomila, Andrea Pizzi, Antonio Frontera, Giuseppe Resnati
Abstract
Analyses of the Cambridge Structural Database and theoretical calculations (PBE0-D3/def2-TZVP level, atoms-in-molecules, natural bond orbital studies) prove the formation of net attractive noncovalent interactions between group 5 elements and electron-rich atoms (neutral or anionic). These kinds of bonding are markedly different from coordination bonds formed by the same elements and possess the distinctive features of σ-hole interactions. The term erythronium bond is proposed to denote these bonds. X-ray structures of vanadate-dependent bromoperoxidases show that these interactions are present also in biological systems.
Topics & Concepts
Non-covalent interactionsChemistryMoleculeGroup (periodic table)Natural bond orbitalChemical bondAtoms in moleculesCrystallographyElectronChemical physicsVanadateComputational chemistryMain group elementMolecular orbitalDensity functional theoryHydrogen bondPhysicsTransition metalInorganic chemistryOrganic chemistryQuantum mechanicsCatalysisVanadium and Halogenation ChemistryCrystallography and molecular interactionsPorphyrin and Phthalocyanine Chemistry