Journal article

Desulfination versus decarboxylation as a means of generating three-and five-coordinate organopalladium complexes [(phen)(n)Pd(C6H5)]( ) (n=1 and 2) to study their fundamental bimolecular reactivity

Zilin Wang, Yang Yang, Paul S Donnelly, Allan J Canty, Richard AJ O'Hair

JOURNAL OF ORGANOMETALLIC CHEMISTRY | ELSEVIER SCIENCE SA | Published : 2019

Abstract

Routes to the formation of the 1,10-phenanthroline (phen) ligated organopalladium complexes [(phen)Pd(C6H5)]+ and [(phen)2Pd(C6H5)]+ via thermal extrusion of CO2 or SO2 from mono-nuclear, mono-carboxylate or sulfinate complexes [(phen)nPd(O2XC6H5)]+ (X = C or S; n = 1 and 2) are examined using a combination of low energy collision induced dissociation experiments in an ion trap mass spectrometer and DFT calculations. [(phen)Pd(C6H5)]+ is formed from both [(phen)Pd(O2CC6H5)]+ and [(phen)Pd(O2SC6H5)]+, but only [(phen)2Pd(O2SC6H5)]+ fragments to form [(phen)2Pd(C6H5)]+. In contrast, [(phen)2Pd(O2CC6H5)]+ fragments via loss of a phen ligand to form [(phen)Pd(O2CC6H5)]+. The experimental results..

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Grants

Awarded by Australian Research Council


Funding Acknowledgements

We thank the Australian Research Council for financial support DP180101187 (to RAJO, PSD and AJC). The authors gratefully acknowledge the generous allocation of computing time from the University of Tasmania and the National Computing Infrastructure (fz2 and zg2). We thank Dr Bun Chen for helpful discussions on benchmarking.