PUB - Publikationen an der Universität Bielefeld

A mixed lithium/beryllium diethylhydroxylaminate compound containing (n)butyl beryllium units of total molecular composition Be-n(ONEt2)(2) [(LiONEt2)(2) Bu-n-BeONEt2](2) (1) was isolated from a reaction mixture of nbutyl lithium, N,N-diethylhydroxylamine and BeCl2 in diethylether/thf. The crystal structure of 1 has been determined by X-ray diffraction. The aggregate is composed of two ladder-type subunits connected in a beryllium-centered distorted tetrahedron of four oxygen atoms. Only the lithium atoms are engaged in coordination with the nitrogen donor atoms. The DFT calculations support the positional occupation determined for Li and Be in the crystal structure. The DFT and the solid-state structure are in excellent agreement, indicating only weak intermolecular interactions in the solid state. Structural details of metal atom coordination are discussed.