Tetracationic Gallium Cluster Cations.

Kim GlootzDaniel KratzertDaniel HimmelAho KastroZeinab YassineTobias FindeisenIngo Krossing

Published in: Angewandte Chemie (International ed. in English) (2018)

The univalent salt Ga(PhF)2 + [Al(ORF )4 ]- (RF =OC(CF3 )3 ) forms the strongly metal-metal bonded cluster tetracations [GaII 2 (L)4 ]4+ and [GaI 4 (L')8 ]4+ , when it reacts with innocent ligands like phenanthroline (L=phen) or t-butylisonitrile (L'=t Bu-NC). Their structures and energetics are discussed as a function of the employed ligands, supported by DFT calculations and Born-Fajans-Haber cycles.

Keyphrases

density functional theory
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molecular dynamics
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