Formation and characterisation of the silver hydride nanocluster cation [Ag3H2((Ph2P)2CH2)] and its release of hydrogen

Abstract

Multistage mass spectrometry and density functional theory (DFT) were used to characterise the small silver hydride nanocluster, [Ag3H2L]+ (where L=(Ph2P)2CH2) and its gas-phase unimolecular chemistry. Collision-induced dissociation (CID) yields [Ag2HL]+ as the major product while laser-induced dissociation (LID) proceeds via H2 formation and subsequent release from [Ag3H2L]+, giving rise to [Ag3L]+ as the major product. Deuterium labelling studies on [Ag3D2L]+ prove that the source of H2 is from the hydrides and not from the ligand. Comparison of TD-DFT absorption patterns obtained for the optimised structures with action spectroscopy results, allows assignment of the measured features to s..