First Trifluoromethylated Phenanthrolinediamides: Synthesis, Structure, Stereodynamics and Complexation with Ln(III)

Yuri A Ustynyuk,Pavel S Lemport,Vitaly A Roznyatovsky,Konstantin A Lyssenko,Alexey O Gudovannyy,Petr I Matveev,Ennie K Khult,Mariia V Evsiunina,Vladimir G Petrov,Igor P Gloriozov,Anton S Pozdeev,Valentine S Petrov,Nane A Avagyan,Alexander S Aldoshin,Stepan N Kalmykov,Valentine G Nenajdenko

MOLECULES（2022）

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Abstract

The first examples of 1,10-phenanthroline-2,9-diamides bearing CF3-groups on the side amide substituents were synthesized. Due to stereoisomerism and amide rotation, such complexes have complicated behavior in solutions. Using advanced NMR techniques and X-ray analysis, their structures were completely elucidated. The possibility of the formation of complex compounds with lanthanoids nitrates was shown, and the constants of their stability are quantified. The results obtained are explained in terms of quantum-chemical calculations.

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Key words

phenanthroline, fluorine-containing, N, O-hybrid ligands, X-ray diffraction, NMR, DFT calculations, stereodynamics, complexes, lanthanoids

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