A redox-active Mn(0) dicarbene metalloradical.

Ageliki Karagiannis Alexei M Tyryshkin Roger A Lalancette Denis M Spasyuk Asmaa Washington Demyan E Prokopchuk

Published in: Chemical communications (Cambridge, England) (2022)

We report a rare redox-active Mn 0 metalloradical [Mn(CO) 3 (Ph 2 B( t Bu NHC) 2 )] - (NHC = N-heterocyclic carbene) with countercations [K(2.2.2)crypt] + , [Na(2.2.2)crypt] + , or [Li(DME)(12-crown-4)] + (DME = 1,2-dimethoxyethane), all characterized via single crystal X-ray diffraction. Cyclic voltammograms reveal solvation-dependent Mn I/0 redox potentials that are modeled using the Born equation.

Keyphrases

room temperature
transition metal
metal organic framework
high resolution
ionic liquid
electron transfer
molecular dynamics
magnetic resonance imaging
molecular dynamics simulations
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