Journal article

Formation and Characterisation of the Silver Hydride Nanocluster Cation [Ag3H2((Ph2P)(2)CH2)]( ) and Its Release of Hydrogen

Marion Girod, Marjan Krstic, Rodolphe Antoine, Luke MacAleese, Jerome Lemoine, Athanasios Zavras, George N Khairallah, Vlasta Bonacic-Koutecky, Philippe Dugourd, Richard AJ O'Hair

CHEMISTRY-A EUROPEAN JOURNAL | WILEY-V C H VERLAG GMBH | Published : 2014

Abstract

Multistage mass spectrometry and density functional theory (DFT) were used to characterise the small silver hydride nanocluster, [Ag3 H2 L](+) (where L=(Ph2 P)2 CH2 ) and its gas-phase unimolecular chemistry. Collision-induced dissociation (CID) yields [Ag2 HL](+) as the major product while laser-induced dissociation (LID) proceeds via H2 formation and subsequent release from [Ag3 H2 L](+) , giving rise to [Ag3 L](+) as the major product. Deuterium labelling studies on [Ag3 D2 L](+) 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 ..

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Grants

Awarded by Deutsche Forschungsgemeinschaft (DFG)


Funding Acknowledgements

R.A.J.O. thanks the Australian Research Council for financial support through the CoE program; The Universite de Lyon for a visiting Professorship and the School of Chemistry at the University of Melbourne for a short term study leave. V.B.-K. and P.D. thank the CNRS NCBA international laboratory. V.B.-K. acknowledges support by the Deutsche Forschungsgemeinschaft (DFG, FOR1282) and by Split-Dalmatia County.