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

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Abstract 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… Click to show full abstract

Abstract 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.

Keywords: heterocyclic carbenes; nmr spectroscopy; metal; spectroscopy heterocyclic; spectroscopy; theoretical nmr

Journal Title: Coordination Chemistry Reviews
Year Published: 2017

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