Determining the Ligand Properties of N‐Heterocyclic Carbenes from 77Se NMR Parameters
作者： Kathrin Verlinden , Hannes Buhl , Walter Frank , Christian Ganter
关键词: Coupling constant 、 Infrared spectroscopy 、 Inorganic chemistry 、 Nuclear magnetic resonance spectroscopy 、 Rhodium 、 Tolman electronic parameter 、 Chemical shift 、 Ligand 、 Adduct 、 Physical chemistry 、 Chemistry
摘要: The 1JCSe coupling constants for a range of NHC–selenium adducts have been measured and used to establish correlation with the σ-donor strength respective carbenes. For subclass amido-carbenes, values revealed high donor capacity, very much in contrast what DFT-calculated HOMO energies suggest. 1JCH C-2 atoms azolium-type NHC precursors were more readily obtained show same trend as constants. In addition, use 77Se chemical shifts determine π-acidity has extended broader derivatives, namely 1·Se–22·Se. superior resolution δ(77Se) method comparison Tolman electronic parameters derived from IR spectroscopy is demonstrated caffeine-derived bis-carbene 19.
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