Bonding situation in Be[N(SiMe₃)₂]₂– an experimental and computational study

Abstract

The solid state structure of Be[N(SiMe3)2]2 (1) was determined by in situ crystallisation and the bonding situation investigated by quantum chemical calculations. The Be-N bond is predominantly ionic, but some evidence for the presence of a partial Be-N double bond character was found.

Recent Contributions to the Coordination Chemistry of Beryllium

“…2019, 25,12018 -12036 www.chemeurj.org Nb ond is predominantly ionic with some evidencef or partial double-bond character. [35] However, no further reactivity of these compounds was reported.…”

“…Beryllium compounds with monodentate N-donor ligands. [27,[33][34][35] Chem.E ur.J. 2019, 25,12018 -12036 www.chemeurj.org Nb ond is predominantly ionic with some evidencef or partial double-bond character.…”

Auf neuen Pfaden – per Anhalter durch die Berylliumchemie

“…In den letzten Jahrzehnten sind außer diesem Bericht nur wenige Manuskripte über Be‐Komplexe erschienen . Viele Untersuchungen konzentrierten sich auf die Synthese von NHC‐Komplexen (NHC=N‐heterocyclisches Carben), die zur Entdeckung der Aktivierung dieser Carbene in Beryllium‐induzierten Ringerweiterungen und zur Synthese von einem NHC‐BePh 2 ‐Komplex geführt haben (Abbildung ) .…”

Symmetric Assembly of a Sterically Encumbered Allyl Complex: Mechanochemical and Solution Synthesis of the Tris(allyl)beryllate, K[BeA′3] (A′ = 1,3-(SiMe3)2C3H3)

“…It should be noted, however, that the correlation en coordination number and 9 Be chemical shift is not exact, and can be strongly influenced by lectronic properties of the ligands. The 2-coordinate complex beryllium bis (N,N´-bis(2,6-ropylphenyl)-1,3,2-diazaborolyl), for example, has an extreme downfield shift of δ44 ppm [20], eas the 2-ccordinate Be(N(SiMe3)2 displays a 9 Be NMR shift at δ12.3 ppm [4]. Nevertheless, the 1 is at δ22.8 ppm, which to our knowledge is the most positive shift yet reported for a three-= ball milling at 600 rpm.…”

“…Not surprisingly, beryllium compounds with the same ligand sets commonly have different structures from those of the other, more electropositive alkaline earth (Ae) metals. The bis(trimethylsilyl)amides of Mg-Ba, for example, have a common dimeric bridged structure, [Ae(N(SiMe 3 )(µ-N(SiMe 3 ) 2 ] 2 [3], whereas that of beryllium is a two-coordinate monomer [4]. Similarly, the bis(cyclopentadienyl) complex Cp 2 Be has an η 1 ,η 5 -Cp structure [5] that is unlike that of the heavier metallocenes [6].…”