Journal article

Gas phase synthesis and reactivity of dimethylaurate

Nicole J Rijs, Gustavo B Sanvido, George N Khairallah, Richard AJ O'Hair



A combination of multistage mass spectrometry experiments and DFT calculations were used to examine the synthesis and reactivity of dimethylaurate. Collision induced dissociation (CID) of [(CH(3)CO(2))(4)Au](-) proceeded via reductive elimination of acetylperoxide to yield the diacetate [CH(3)CO(2)AuO(2)CCH(3)](-), which in turn underwent sequential CID decarboxylation reactions to yield the organoaurates [CH(3)CO(2)AuCH(3)](-) and [CH(3)AuCH(3)](-). The unimolecular chemistry of the dimethylaurate proceeds via a combination of bond homolysis to yield the methyl aurate radical anion [CH(3)Au] (-) as well as formation of the gold dihydride [HAuH](-). DFT calculations reveal that the latter an..

View full abstract


Awarded by ARC

Funding Acknowledgements

We thank the ARC for financial support via grant DP0558430 (to RAJO) and through the ARC CoE program. NJR thanks: (i) the Faculty of Science for a Science Faculty Scholarship; (ii) The University of Melbourne for a Postgraduate Overseas Research Experience Scholarship (PORES) to travel to the University of Tokyo; and (iii) Prof. Eiichi Nakamura of the University of Tokyo for hosting a visit to carry out theoretical studies on metal based systems. VPAC is acknowledged for the generous provision of computational resources. VICS is acknowledged for the Chemical Sciences High Performance Computing Facility. GBS thanks Sao Paulo Research Foundation - FAPESP for a scholarship and the University of Melbourne for providing an Occupational Traineeship.