Enantiopure, luminescent, cyclometalated Ir( iii ) complexes with N-heterocyclic carbene-naphthalimide chromophore: design, vibrational circular dichroism and TD-DFT calculations - Sorbonne Université
Journal Articles Dalton Transactions Year : 2022

Enantiopure, luminescent, cyclometalated Ir( iii ) complexes with N-heterocyclic carbene-naphthalimide chromophore: design, vibrational circular dichroism and TD-DFT calculations

Abstract

A series of chiral cyclometalated iridium complexes of the type [Ir(C^N)2(C^C:)], {(C^N) = ppy (2); dfppy (3)} featuring a naphthalimide N-heterocyclic carbene ligand (C^C:) = (Naphthalimide-NHC) are described and fully characterized. The racemic complexes rac-2 and rac-3 were resolved via chiral column chromatography techniques into their corresponding enantiopure species Δ-2, Λ-2, Δ-3, Λ-3 as confirmed by their CD curves. This unique class of molecules containing organic and inorganic chromophores might be used as a platform to probe the stereochemical effect on the photophysical properties. Vibrational circular dichroism (VCD) was used as an important tool to assign successfully the stereochemistry of the enantiomers. TD-DFT calculations are also advanced to support the experimental studies and to rationalize the observed results.
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Dates and versions

hal-03546613 , version 1 (09-02-2022)

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Antoine Groué, Eve Montier-Sorkine, Yaping Cheng, Marie Noelle Rager, Marion Jean, et al.. Enantiopure, luminescent, cyclometalated Ir( iii ) complexes with N-heterocyclic carbene-naphthalimide chromophore: design, vibrational circular dichroism and TD-DFT calculations. Dalton Transactions, 2022, 51 (7), pp.2750-2759. ⟨10.1039/D1DT04006E⟩. ⟨hal-03546613⟩
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