1-Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: The First "Blatter Radical" for Coordination Chemistry

: Morgan IS, Peuronen A, Hanninen MM, Reed RW, Clerac R, Tuononen HM

Publisher: AMER CHEMICAL SOC

: 2014

: Inorganic Chemistry

: INORGANIC CHEMISTRY

: INORG CHEM

: 53

: 1

: 33

: 35

: 3

: 0020-1669

DOI: https://doi.org/10.1021/ic402954p

A neutral air- and moisture-stable N,N'-chelating radical ligand, 1-phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl (1) was synthesized and characterized by electron paramagnetic resonance spectroscopy, X-ray crystallography, and magnetic measurements. Subsequent reaction of 1 with Cu(hfac)(2)center dot 2H(2)O (hfac = hexafluoroacetylacetonate) under ambient conditions afforded the coordination complex Cu(1)(hfac)(2) in which the radical binds to the metal in a bidentate fashion. Magnetic susceptibility data collected from 1.8 to 300 K indicate a strong ferromagnetic metal-radical interaction in the complex and weak antiferromagnetic radical center dot center dot radical interactions between the Cu(1)(hfac)(2) units. Detailed computational investigations support this assignment. Radical 1 is a new addition to the growing library of 1,2,4-triazinyl radicals and the first member of this family of paramagnetic species synthesized specifically for coordination purposes.