TY - JOUR
T1 - Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes
AU - Falivene, Laura
AU - Cavallo, Luigi
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2016/12/26
Y1 - 2016/12/26
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/622099
UR - http://www.sciencedirect.com/science/article/pii/S0010854516304337
UR - http://www.scopus.com/inward/record.url?scp=85009243703&partnerID=8YFLogxK
U2 - 10.1016/j.ccr.2016.12.015
DO - 10.1016/j.ccr.2016.12.015
M3 - Article
SN - 0010-8545
VL - 344
SP - 101
EP - 114
JO - Coordination Chemistry Reviews
JF - Coordination Chemistry Reviews
ER -