Erythronium Bonds: Noncovalent Interactions Involving Group 5 Elements as Electron-Density Acceptors
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Miriam Calabrese1, Rosa M Gomila2, Andrea Pizzi1
1NFMLab, Dept. Chemistry, Materials, Chemical Engineering "Giulio Natta", Politecnico di Milano, Via Mancinelli 7, 20131, Milano, Italy.
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.
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