The new π-accepting ability parameter (PAAP) appears to be the best tool to analyse the electronic properties of NHC ligands in [Ir(H) 2 (NHC)(Py) 3 ] + complexes for SABRE. Together with the buried volume, the efficiency of hyperpolarisation transfer in SABRE, depending on the exchange rate of pyridine, can be described.
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Van Weerdenburg, B. J. A., Eshuis, N., Tessari, M., Rutjes, F. P. J. T., & Feiters, M. C. (2015). Application of the π-accepting ability parameter of N-heterocyclic carbene ligands in iridium complexes for signal amplification by reversible exchange (SABRE). Dalton Transactions, 44(35), 15387–15390. https://doi.org/10.1039/c5dt02340h