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

被引：11

作者：

Groue, Antoine ^{[1
]}

Montier-Sorkine, Eve ^{[1
]}

Cheng, Yaping ^{[1
]}

Rager, Marie Noelle ^{[2
]}

Jean, Marion ^{[3
]}

Vanthuyne, Nicolas ^{[3
]}

Crassous, Jeanne ^{[4
]}

Lopez, Amalia C. ^{[6
]}

Moncada, Alejandra Saavedra ^{[5
]}

Barbieri, Andrea ^{[5
]}

Cooksy, Andrew L. ^{[6
]}

Amouri, Hani ^{[1
]}

机构：

[1] Sorbonne Univ, Univ Pierre & Marie Curie, UPMC Univ Paris 06, Inst Parisien Chim Mol IPCM,UMR 8232, 4 Pl Jussieu, F-75252 Paris 05, France

[2] PSL Univ, NMR Facil, Chim ParisTech, 11 Rue Pierre & Marie Curie, F-75005 Paris, France

[3] Aix Marseille Univ, iSm2, Cent Marseille, CNRS, Marseille, France

[4] Univ Rennes 1, CNRS, Inst Sci Chim Rennes, UMR 6226,Inst Phys Rennes, 1 Campus Beaulieu, F-35042 Rennes, France

[5] CNR, Ist Sintesi Organ & Fotoreatt, Via Gobetti 101, I-40129 Bologna, Italy

[6] San Diego State Univ, Dept Chem, San Diego, CA 92182 USA

来源：

DALTON TRANSACTIONS | 2022年 / 51卷 / 07期

关键词：

IRIDIUM(III) COMPLEXES; CHIROPTICAL PROPERTIES; BASIS-SETS;

D O I：

10.1039/d1dt04006e

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A series of chiral cyclometalated iridium complexes of the type [Ir(C boolean AND N)(2)(C boolean AND C:)], {(C boolean AND N) = ppy (2); dfppy (3)} featuring a naphthalimide N-heterocyclic carbene ligand (C boolean AND 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 Delta-2, Lambda-2, Delta-3, Lambda-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.

引用

页码：2750 / 2759

页数：10

共 39 条

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