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Unique Class of Enantiopure N-Heterocyclic Carbene Half-Sandwich Iridium(III) Complexes with Stable Configurations: Probing Five-Membered versus Six-Membered Iridacycles
Author(s) -
Antoine Groué,
JeanPhilippe Tranchier,
MarieNoëlle Rager,
Geoffrey Gontard,
Marion Jean,
Nicolas Vanthuyne,
Harrison R. Pearce,
Andrew L. Cooksy,
Hani Amouri
Publication year - 2019
Publication title -
inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 233
eISSN - 1520-510X
pISSN - 0020-1669
DOI - 10.1021/acs.inorgchem.8b03469
Subject(s) - enantiopure drug , chemistry , iridium , carbene , class (philosophy) , medicinal chemistry , stereochemistry , polymer chemistry , organic chemistry , catalysis , enantioselective synthesis , artificial intelligence , computer science
A unique class of enantiopure N-heterocyclic carbene half-sandwich iridium complexes is reported. These compounds display stable configurations at the metal center, as demonstrated by their chiroptical properties. Remarkably, because of the nature of the naphthalimide molecule, two regioisomers containing five-membered [( R)-2a and ( S)-2a] and six-membered [( R)-2b and ( S)-2b] iridacycles were obtained. Density functional theory calculations are advanced to rationalize their relative stability.

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