Forming trifluoromethylmetallates: competition between decarboxylation and C-F bond activation of group 11 trifluoroacetate complexes, [CF3CO2ML](-)
Nicole J Rijs, Richard AJ O'Hair
DALTON TRANSACTIONS | ROYAL SOC CHEMISTRY | Published : 2012
A combination of gas-phase 3D quadrupole ion trap mass spectrometry experiments and density functional theory (DFT) calculations have been used to examine the mechanism of thermal decomposition of fluorinated coinage metal carboxylates. The precursor anions, [CF(3)CO(2)MO(2)CCF(3)](-) (M = Cu, Ag and Au), were introduced into the gas-phase via electrospray ionization. Multistage mass spectrometry (MS(n)) experiments were conducted utilizing collision-induced dissociation, yielding a series of trifluoromethylated organometallic species and fluorides via the loss of CO(2), CF(2) or "CF(2)CO(2)". Carboxylate ligand loss was insignificant or absent in all cases. DFT calculations were carried out..View full abstract
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Awarded by ARC
We thank the ARC for financial support via grant DP0558430 (to RAJO). NJR thanks the Faculty of Science for a Science Faculty Scholarship. VPAC is acknowledged for generous provision of computational resources. VICS is acknowledged for the Chemical Sciences High Performance Computing Facility (Gomberg).