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Issue 37, 2016
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Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(I) dimers

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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

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Publication details

The article was received on 01 Jun 2016, accepted on 27 Jul 2016 and first published on 27 Jul 2016


Article type: Paper
DOI: 10.1039/C6DT02189A
Citation: Dalton Trans., 2016,45, 14789-14800

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    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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