Reductive Dimerization of CO by a Na/Mg(I) diamide

Han-Ying Dennis Liu; Ryan Schwamm; Sam Neale; Michael Hill; Claire McMullin; Mary Mahon

doi:10.1021/jacs.1c09467

Reductive Dimerization of CO by a Na/Mg(I) diamide

Han-Ying Dennis Liu, Ryan Schwamm, Sam Neale, Michael Hill, Claire McMullin, Mary Mahon

Research output: Contribution to journal › Article › peer-review

42 Citations (SciVal)

Abstract

Sodium reduction of [{SiNDipp}Mg] [{SiNDipp} = {CH2SiMe2N(Dipp)}2; Dipp = 2,6-i-Pr2C6H3] provides the Mg(I) species, [{SiN-Dipp}MgNa]2, in which the long Mg-Mg bond (>3.2 Å) is augmented by persistent Na-aryl interactions. Computational assess-ment indicates that this molecule is best considered to comprise a contiguous tetrametallic core, a viewpoint borne out by its reaction with CO, which results in ethynediolate formation mediated by the dissimilar metal centers.

Original language	English
Pages (from-to)	17851-17856
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	143
Issue number	42
Early online date	15 Oct 2021
DOIs	https://doi.org/10.1021/jacs.1c09467
Publication status	Published - 27 Oct 2021

Funding

We thank the Royal Commission for the Exhibition of 1851 for the provision of a Postdoctoral Fellowship (RJS) and the EPSRC (EP/R020752/1) for support of this research. This research made use of the Balena High Performance Computing (HPC) Service at the University of Bath.

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10.1021/jacs.1c09467Licence: CC BY

Ryan Schwamm- 1851 Fellowship - Activation of Nitrogen using Alkaline Earth Metals
Schwamm, R. (PI) & Hill, M. (CoI)
Royal Commission for the Exhibition of 1851
5/11/18 → 4/11/21
Project: UK charity
Nucleophilic alkaline earth boryls: from conception and theory to application
Hill, M. (PI), Cresswell, A. (CoI) & McMullin, C. (Researcher)
Engineering and Physical Sciences Research Council
1/05/18 → 31/07/22
Project: Research council

Balena High Performance Computing (HPC) System
Facility/equipment: Equipment

Cite this

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title = "Reductive Dimerization of CO by a Na/Mg(I) diamide",

abstract = "Sodium reduction of [{SiNDipp}Mg] [{SiNDipp} = {CH2SiMe2N(Dipp)}2; Dipp = 2,6-i-Pr2C6H3] provides the Mg(I) species, [{SiN-Dipp}MgNa]2, in which the long Mg-Mg bond (>3.2 {\AA}) is augmented by persistent Na-aryl interactions. Computational assess-ment indicates that this molecule is best considered to comprise a contiguous tetrametallic core, a viewpoint borne out by its reaction with CO, which results in ethynediolate formation mediated by the dissimilar metal centers.",

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AU - Liu, Han-Ying Dennis

AU - Schwamm, Ryan

AU - Neale, Sam

AU - Hill, Michael

AU - McMullin, Claire

AU - Mahon, Mary

PY - 2021/10/27

Y1 - 2021/10/27

N2 - Sodium reduction of [{SiNDipp}Mg] [{SiNDipp} = {CH2SiMe2N(Dipp)}2; Dipp = 2,6-i-Pr2C6H3] provides the Mg(I) species, [{SiN-Dipp}MgNa]2, in which the long Mg-Mg bond (>3.2 Å) is augmented by persistent Na-aryl interactions. Computational assess-ment indicates that this molecule is best considered to comprise a contiguous tetrametallic core, a viewpoint borne out by its reaction with CO, which results in ethynediolate formation mediated by the dissimilar metal centers.

AB - Sodium reduction of [{SiNDipp}Mg] [{SiNDipp} = {CH2SiMe2N(Dipp)}2; Dipp = 2,6-i-Pr2C6H3] provides the Mg(I) species, [{SiN-Dipp}MgNa]2, in which the long Mg-Mg bond (>3.2 Å) is augmented by persistent Na-aryl interactions. Computational assess-ment indicates that this molecule is best considered to comprise a contiguous tetrametallic core, a viewpoint borne out by its reaction with CO, which results in ethynediolate formation mediated by the dissimilar metal centers.

U2 - 10.1021/jacs.1c09467

DO - 10.1021/jacs.1c09467

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EP - 17856

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 42

ER -

Reductive Dimerization of CO by a Na/Mg(I) diamide

Abstract

Funding

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Projects

Ryan Schwamm- 1851 Fellowship - Activation of Nitrogen using Alkaline Earth Metals

Nucleophilic alkaline earth boryls: from conception and theory to application

Equipment

Balena High Performance Computing (HPC) System

Cite this