Journal article

Gas-Phase Ion-Molecule Reactions of Copper Hydride Anions [CuH2](-) and [Cu2H3](-)

Athanasios Zavras, Hossein Ghar, Alireza Ariafard, Allan J Canty, Richard AJ O'Hair

Inorganic Chemistry | American Chemical Societ | Published : 2017


Gas-phase reactivity of the copper hydride anions [CuH2]– and [Cu2H3]– toward a range of neutral reagents has been examined via multistage mass spectrometry experiments in a linear ion trap mass spectrometer in conjunction with isotope labeling studies and Density Functional Theory (DFT) calculations. [CuH2]– is more reactive than [Cu2H3]–, consistent with DFT calculations, which show it has a higher energy HOMO. Experimentally, [CuH2]– was found to react with CS2 via hydride transfer to give thioformate (HCS2–) in competition with the formation of the organometallic [CuCS2]– ion via liberation of hydrogen; CO2 via insertion to produce [HCuO2CH]–; methyl iodide and allyl iodide to give I– an..

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University of Melbourne Researchers


Awarded by Australian Research Council

Funding Acknowledgements

We thank Dr. George Khairallah for useful discussions regarding the mass spectrometry experiments and the Australian Research Council for financial support DP150101388 (to R.A.J.O. and A.J.C.). We gratefully acknowledge the generous allocation of computing time from the University of Tasmania and the National Computing Infrastructure. We thank the reviewers for their helpful insights.