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.