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    Author
    Cavallo, Luigi (1)
    Falivene, Laura (1)Department
    Chemical Science Program (1)
    KAUST Catalysis Center (KCC) (1)Physical Sciences and Engineering (PSE) Division (1)JournalCoordination Chemistry Reviews (1)Publisher
    Elsevier BV (1)
    Subject
    Density functional theory (1)
    N-heterocyclic carbenes (1)Nuclear magnetic resonance (1)Paramagnetic shielding (1)π-acidity (1)View MoreType
    Article (1)
    Year (Issue Date)
    2016 (1)
    Item AvailabilityOpen Access (1)

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    Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes

    Falivene, Laura; Cavallo, Luigi (Coordination Chemistry Reviews, Elsevier BV, 2016-12-26) [Article]
    Recent theoretical analysis of the NMR properties of free N-heterocyclic carbenes (NHC) and Metal-NHC complexes has complemented experiments, allowing the establishment of structure/property relationships and the rationalization of otherwise surprising experimental results. In this review, the main conclusions from recent literature are discussed, with the aim to offer a vision of the potential of theoretical analyses of NMR properties.
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