Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand

02 September 2022, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

An extremely bulky xanthene bridged diamide ligand (TCHPNON = 4,5-bis(2,4,6-tricyclohexylanilido)-2,7-diethyl-9,9-dimethyl-xanthene) has been developed and used to prepare two monomeric diamido-calcium complexes [(TCHPNON)Ca(D)n] (D = THF, n = 2, 3; D = toluene, n = 1, 4). Reduction of 4 with 5% w/w K/KI under an N2 atmosphere gave the first well-defined, anionic s-block complex of activated dinitrogen, [{K(TCHPNON)Ca}2(-2:2-N2)] 5, presumably via a transient calcium(I) intermediate.

Keywords

calcium
N2 activation
potassium
reduction
DFT calculations

Supplementary materials

Title
Description
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Title
Reductive Activation of N2 using a Calcium/Potassium Bimetallic System Supported by an Extremely Bulky Diamide Ligand
Description
Experimental procedures and characterisation data for all new compounds. Full details of computational studies. Crystal data, details of data collections and refinements. CCDC numbers: 2204507-2204511.
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