Isolation of an organometallic yttrium bismuth cluster and elucidation of its electronic structure

Abstract

A rare organometallic yttrium bismuth cluster complex with a heterometallocubane structure at the core was isolated and characterised by single-crystal X-ray diffraction analysis and UV-Vis spectroscopy. The anionic Bi66− core is best described as a Zintl ion. Computational exploration of its electronic structure reveals polarised Y-Bi bonds alongside delocalisation of the Bi-Bi bonds.