title: 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.
authors.affiliation: Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056, Aachen, Germany.
authors.forename: Valeri
authors.initials: V
authors.lastname: Leich
authors.affiliation: Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056, Aachen, Germany.
authors.forename: Thomas P
authors.initials: TP
authors.lastname: Spaniol
authors.affiliation: CNRS, INSA, UPS, UMR 5215, LPCNO, Université de Toulouse, 135 avenue de Rangueil, 31077, Toulouse, France.
authors.forename: Laurent
authors.initials: L
authors.lastname: Maron
authors.affiliation: Institute of Inorganic Chemistry, RWTH Aachen University, Landoltweg 1, 52056, Aachen, Germany. jun.okuda@ac.rwth-aachen.de.
authors.forename: Jun
authors.initials: J
authors.lastname: Okuda
keywords: Si ligands; alkaline-earth metals; calcium; hydrides; hydrogen