Oxidative Cleavage of the C═N Bond on Al(I).

Terry ChuSergei F VyboishchikovBulat M GabidullinGeorgii I Nikonov

Published in: Journal of the American Chemical Society (2017)

Reaction of the cyclic guanidine TolN═SIMe with the aluminum(I) compound NacNacAl (1) results in the unprecedented cleavage of the C-N multiple bond to give, after rearrangement, the carbene-ligated Al(III) amide, NacNac'Al(NHTol)(SIMe) (6). DFT calculations revealed that these reactions proceed via a bimolecular mechanism in which either the basic Al(I) center or the transient Al═NTol species deprotonates the methyl group of the NacNac ligand.

Keyphrases

density functional theory
molecular dynamics
single cell
dna binding
transition metal