Realization of Lewis Basic Sodium Anion in the NaBH₃⁻ Cluster

Abstract

We report a Na:−→B dative bond in the NaBH3− cluster, which was designed on the principle of minimum‐energy rupture, prepared by laser vaporization, and characterized by a synergy of anion photoelectron spectroscopy and electronic structure calculations. The global minimum of NaBH3− features a Na−B bond. Its preferred heterolytic dissociation conforms with the IUPAC definition of dative bond. The lone electron pair revealed on Na and the negative Laplacian of electron density at the bond critical point further confirm the dative nature of the Na−B bond. This study represents the first example of a Lewis adduct with an alkalide as the Lewis base.

Comment on “Realization of Lewis Basic Sodium Anion in the NaBH3−Cluster”

“…Chemie Korrespondenz stated to be "one main feature of ad ative bond" [1] but the assignment is deceptive.T he authors introduce in the same paper the hypothetical anion NaB(CN) 3 À as contrast to NaBH 3…”

Comment on “Realization of Lewis Basic Sodium Anion in the NaBH3−Cluster”

“…Correspondence stated to be "one main feature of ad ative bond" [1] but the assignment is deceptive.T he authors introduce in the same paper the hypothetical anion NaB(CN) 3 À as contrast to NaBH 3…”

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu12@Sn20]12−

“…The induced magnetic field is related to the shielding tensor by the relation , in which i and j are related to the x , y , and z axes to account for different representative orientations of the external field B ext . Bonding analysis was carried out by using the AdNDP code, a flexible tool based on the NBO analysis and capable of recovering both localized and delocalized bonds to get intuitive Lewis‐like pictures . AdNDP analysis was carried out at the MN15L/def2‐TZVP and CAM‐B3LYP/def2‐TZVP levels of theory by using Gaussian 16 .…”