[Fe(bpy)Cl₃X][bpy H] complexes: synthesis, characterization and theoretical studies towards visible-light photocatalytic hydroxyethylation of quinoline

Zita G. Rios-Malvaez,Alberto Cedillo-Cruz,David Garcia-Bassoco,Diego Martinez-Otero,Uvaldo Hernandez-Balderas,Marco Antonio Garcia-Eleno,M. V. Basavanag Unnamatla,Bernardo A. Frontana-Uribe,Erick Cuevas-Yanez

JOURNAL OF COORDINATION CHEMISTRY（2023）

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摘要

A series of [Fe(bpy)Cl3X][bpyH] (X = Cl, Br, I) complexes were prepared from direct treatment of FeCl36H(2)O with 2,2 '-bipyridine in the presence of an HX solution. The complexes were characterized by IR, UV-Vis, XRDP, and cyclic voltammetry techniques. Electrochemical studies revealed a possible reduction to form the corresponding Fe-0 complexes. A single crystal of [Fe(bpy)Cl-4][bpyH] displayed important H-Cl/Cl-H, H-H, H-C/C-H, and H-N/N-H interactions which were corroborated by a Hirshfeld surface analysis as well as MEP, QTAIM, and NCI studies, and complemented by HOMO/LUMO calculations at the B3LYP/cc-pVDZ + LANL2DZ level. In addition, the complexes displayed catalytic activity for the visible-light-driven the formation of 1-quinolin-4-yl-ethanol from quinoline under acidic conditions.

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关键词

Iron complex, bipyridine, hydroxyethylation

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[Fe(bpy)Cl3X][bpy H] complexes: synthesis, characterization and theoretical studies towards visible-light photocatalytic hydroxyethylation of quinoline

[Fe(bpy)Cl₃X][bpy H] complexes: synthesis, characterization and theoretical studies towards visible-light photocatalytic hydroxyethylation of quinoline