Beryllium as a Base: Complexes of Be(CO)3 with HX (X=F, Cl, Br, CN, NC, CCH, OH)

• DOI: 10.1002/cphc.202400608
• Publication Date: 2024-07-01T18:03:51Z
• Authors: Carlos Martín‐Fer...; José Elguero; Ibon Alkorta
• Keywords: Base (topology)

Abstract Beryllium chemistry is typically governed by its electron deficient character, but in some compounds it can act as a base. In order to understand better the unusual basicity of Be, we have systematically explored complexes one such compound, Be(CO) 3 , towards several hydrogen bond donors HX (X=F, Cl, Br, CN, NC, CCH, OH). For all find three different minima, two bonded minima (to Be or O atoms), and weak beryllium minimum. Further characterization interactions using topological analysis density Symmetry Adapted Perturbation Theory (SAPT) provide insight into nature these interactions. Overall results highlight capability certain either Lewis acid or, unconventionally, base whose bonding comparable that π systems.