Molecular Calcium Hydride: Dicalcium Trihydride Cation Stabilized by a Neutral NNNN-Type Macrocyclic Ligand
Abstract
Hydrogenolysis of bis(triphenylsilyl)calcium containing the neutral NNNN‐type macrocyclic amine ligand Me4TACD [Ca(Me4TACD)(SiPh3)2] (2), gave the cationic dinuclear calcium hydride [Ca2H3(Me4TACD)2](SiPh3) (3), characterized by NMR spectroscopy, single‐crystal X‐ray analysis, and DFT calculations. Compound 3 reacted with deuterium to give the deuteride [D3]‐3.