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Abstract

We have demonstrated the profound effect that the N-substituent steric bulk of ethylene-linked bis(N-heterocyclic carbene) (bis(NHC)) species has on the mechanism of their formation via Pd(OAc)2-assisted deprotometalations. The binding mode of an ethylene-linked bis(NHC) ligand is chelating when it bears N-2,4-Me2C6H3 substituents but forms a mono(NHC) with a pendant imidazolium group for N-2,6-iPr2C6H3. An N-mesityl-substituted bis(NHC), with steric bulk intermediate between the two aforementioned substituents, generates a mixture of two chelating homoleptic normal/normal and heteroleptic normal/abnormal bis(NHC) complexes, as predicted by DFT calculations. Interestingly, the latter was seen to undergo facile reductive elimination, affording a novel tricyclic monodentate NHC ligand.

Item Type:	Article
Authors/Creators:	Wierenga, TS and Vanston, CR and Ariafard, A and Gardiner, MG and Ho, CC
Keywords:	palladium, carbene, NHC, DFT
Journal or Publication Title:	Organometallics
Publisher:	Amer Chemical Soc
ISSN:	0276-7333
DOI / ID Number:	https://doi.org/10.1021/acs.organomet.9b00356
Copyright Information:	Copyright 2019 American Chemical Society
Related URLs:	UTAS Profile: Wierenga, TS Google Scholar: Ariafard, A UTAS Profile: Ariafard, A UTAS Profile: Gardiner, MG Google Scholar: Ho, CC UTAS Profile: Ho, CC
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