Journal article
Dissecting transmetalation reactions at the molecular level: C-BversusF-B bond activation in phenyltrifluoroborate silver complexes
F Bathie, AWE Stewart, AJ Canty, RAJ O'Hair
Dalton Transactions | ROYAL SOC CHEMISTRY | Published : 2021
DOI: 10.1039/d0dt03309j
Abstract
The gas-phase unimolecular reactions of the silver(i) complex [Ag(PhBF3)2]−, formedviaelectrospray ionisation mass spectrometry of solutions containing the phenyltrifluoroborate salt and AgNO3, are examined. Upon collision induced dissociation (CID) three major reaction channels were observed for [Ag(PhBF3)2]−: Ph−group transferviaa transmetalation reaction to yield [PhAg(PhBF3)]−; F−transfer to produce [FAg(PhBF3)]−; and release of PhBF3−. The anionic silver product complexes of these reactions, [LAg(PhBF3)]−(where L = Ph and F), were then mass-selected and subjected to a further stage of CID. [PhAg(PhBF3)]−undergoes a Ph−group transferviatransmetalation to yield [Ph2Ag]−with loss of BF3. [..
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Awarded by National Computational Infrastructure
Funding Acknowledgements
We thank the Australian Research Council for financial support (DP180101187). The DFT calculations were carried out using: (i) the National Computing Infrastructure; (ii) University of Melbourne (2017) Spartan HPC-Cloud Hybrid.<SUP>36</SUP>