2024
DOI: 10.1002/slct.202401830
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A S=3/2 Cr(III) Complex In A Square‐Capping NHC Framework

Michael R. Gau,
Jeremiah J. Scepaniak

Abstract: Deprotonation of our pentadentate N‐Heterocyclic Carbene (NHC) ligand with lithium diisopropylamine in tetrahydrofuran and subsequent salt metathesis with CrCl3THF3 readily forms the complex PhCC4MeCrCl (1), a S=3/2 species in moderate yield. DFT calculations reveal three singly occupied molecular orbitals with π‐backbonding character to the square‐capping framework, UV‐Vis spectroscopy reveals 3 bands ascribed to d‐to‐d transitions, and cyclic voltammetry reveals an irreversible and quazi‐reversible reduction… Show more

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