A germaaluminocene.

Lena AlbersPatrik TholenMarc Schmidtmann Thomas Müller

Published in: Chemical science (2020)

The reactions of dipotassium germacyclopentadienediide with two Group 13 dichlorides, Cp*BCl2 and Cp*AlCl2, yield two structurally different products. In the case of boron a borole complex of germanium(ii) is obtained. The aluminium halide gives an unprecedented neutral germaaluminocene. Both compounds were fully characterised by multinuclear NMR spectroscopy supported by DFT computations. The molecular structure of the germaaluminocene was determined by XRD.

Keyphrases

density functional theory
molecular docking
crystal structure
molecular dynamics simulations