title: Application of the π-accepting ability parameter of N-heterocyclic carbene ligands in iridium complexes for signal amplification by reversible exchange (SABRE).
abstract: 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.
authors.affiliation: Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands. m.feiters@science.ru.nl.
authors.forename: Bram J A
authors.initials: BJ
authors.lastname: van Weerdenburg
authors.forename: Nan
authors.initials: N
authors.lastname: Eshuis
authors.forename: Marco
authors.initials: M
authors.lastname: Tessari
authors.forename: Floris P J T
authors.initials: FP
authors.lastname: Rutjes
authors.forename: Martin C
authors.initials: MC
authors.lastname: Feiters
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D004583:Electrons; D006571:Heterocyclic Compounds / Q000737:chemistry*; D007495:Iridium / Q000737:chemistry*; D008024:Ligands; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D011725:Pyridines / Q000737:chemistry*
chemical_list: D056831:Coordination Complexes; D006571:Heterocyclic Compounds; D008024:Ligands; D011725:Pyridines; C030011:carbene; D007495:Iridium; C023666:pyridine; D008697:Methane