Copper–Ligand Cooperativity in H2 Activation Enables the Synthesis of Copper Hydride Complexes

05 April 2021, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Copper(I) complexes of a new participative triphosphane ligand (2H) have been prepared and structurally characterized, in particular [Cu(2H)I] and [Cu(2)]2. Hydrogenation of the latter species afforded the trimetallic hydride species [Cu3(2)2(µ-H)] or in the presence of BEt3, [Cu(2H)(HBEt3)]. Their formation evidences transient formation of [Cu(2H)H] formed by hydrogenolysis of the Cu‒
N bond of [Cu(2)]2. [Cu(2H)(HBEt3)] behaves like a hydride complex and inserts CO2 to yield the formate product [Cu(2H)(O2CH)].

Keywords

copper complexes
hydrogenation
CO2
participative ligands

Supplementary materials

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CuH
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ESI
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DFT Coordinates
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