Unusual Reactions of NacNacAl with Urea and Phosphine Oxides.

Terry ChuSergei F VyboishchikovBulat M GabidullinGeorgii I Nikonov

Published in: Inorganic chemistry (2017)

The reaction of cyclic urea 1,3-dimethyl-2-imidazolidinone with the aluminum(I) compound NacNacAl (1) gives an unexpected adduct of urea with the isomerized aluminum(III) hydride NacNac'AlH(O═SIMe) (3). A related reaction of 1 with phosphine oxides results in cleavage of the P═O bond and formation of hydroxyl derivatives NacNac'Al(OH)(O═PR3) [R = Ph (5) and Et (6)]. Density functional theory calculations revealed that these reactions proceed via a bimolecular mechanism in which either the basic aluminum(I) center or the transient Al═O species deprotonate the methyl group of the NacNac ligand.

Keyphrases

density functional theory
molecular dynamics
oxide nanoparticles
single cell
electron transfer
dna binding
transcription factor