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dc.contributor.authorFalivene, Laura
dc.contributor.authorCavallo, Luigi
dc.date.accessioned2016-12-29T13:20:21Z
dc.date.available2016-12-29T13:20:21Z
dc.date.issued2016-12-26
dc.identifier.citationFalivene L, Cavallo L (2016) Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes. Coordination Chemistry Reviews. Available: http://dx.doi.org/10.1016/j.ccr.2016.12.015.
dc.identifier.issn0010-8545
dc.identifier.doi10.1016/j.ccr.2016.12.015
dc.identifier.urihttp://hdl.handle.net/10754/622099
dc.description.abstractRecent 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.
dc.publisherElsevier BV
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0010854516304337
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Coordination Chemistry Reviews. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Coordination Chemistry Reviews, 26 December 2016. DOI: 10.1016/j.ccr.2016.12.015
dc.subjectN-heterocyclic carbenes
dc.subjectDensity functional theory
dc.subjectNuclear magnetic resonance
dc.subjectπ-acidity
dc.subjectσ-donicity
dc.subjectParamagnetic shielding
dc.titleTheoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes
dc.typeArticle
dc.contributor.departmentChemical Science Program
dc.contributor.departmentKAUST Catalysis Center (KCC)
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalCoordination Chemistry Reviews
dc.eprint.versionPost-print
kaust.personFalivene, Laura
kaust.personCavallo, Luigi
refterms.dateFOA2018-12-26T00:00:00Z
dc.date.published-online2016-12-26
dc.date.published-print2017-08


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