Exploring an intermolecular Ge/B frustrated Lewis pair from a multicentre Zintl Lewis base

The possible existence of nonagermanide deltahedral Zintl ion (Ge 9 4− ) as a nine-folded Lewis base is investigated from first principles calculations. It is observed that all nine centres, Ge 9 4− , can make an adduct with Lewis acid. The presence of lone pairs is confirmed from the 1c–2e AdNDP calculation. It is further noticed that the bulky group functionalized organo-Zintl cluster, [Ge 9 ( t Bu) 3 ] − , can potentially act as a Lewis base and can make an intermolecular frustrated Lewis pair (FLP) with a well-known Lewis acid Tris[2,4,6-tris(trifluoromethyl)phenyl] borane, [B{C 6 H 2 (CF 3 ) 3 } 3 ].