Issue 37, 2016

Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(i) dimers

Abstract

The mechanistic investigation of the reductive coupling vs. reductive disproportionation of CO2 using magnesium(I) dimers bearing tripodal ligands, [{Mg[κ3-N,N′,O-(ArNCMe)2(OCCPh2)CH]}2] (Ar = C6H3Et2-2,6) has been carried out using DFT computational methods. We also elucidated the reduction of N2O to form a μ-oxo magnesium complex which upon addition of CO2 affords the experimentally observed carbonate complex. Finally, the interesting reactivity towards SO2 is considered and some insights into the mechanistic aspects of such activation/homo-coupling reaction are given for both “Nacnac” substituted magnesium(I) dimers ([{(DipNacnac)Mg}2] (DipNacnac = [(DipNCMe)2CH], Dip = C6H3Pri2-2,6)) and those bearing tripodal ligands. The analogy between the activation chemistry of low-valent f-block metal complexes with that of magnesium systems is highlighted.

Graphical abstract: Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(i) dimers

Supplementary files

Article information

Article type
Paper
Submitted
01 јун. 2016
Accepted
27 јул. 2016
First published
27 јул. 2016

Dalton Trans., 2016,45, 14789-14800

Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(I) dimers

C. E. Kefalidis, C. Jones and L. Maron, Dalton Trans., 2016, 45, 14789 DOI: 10.1039/C6DT02189A

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