TY - DATA T1 - 1‑Phenyl-3-(pyrid-2-yl)benzo[e][1,2,4]triazinyl: The First “Blatter Radical” for Coordination Chemistry PY - 2014/01/06 AU - Ian S. Morgan AU - Anssi Peuronen AU - Mikko M. Hänninen AU - Robert W. Reed AU - Rodolphe Clérac AU - Heikki M. Tuononen UR - https://acs.figshare.com/articles/journal_contribution/1_Phenyl_3_pyrid_2_yl_benzo_i_e_i_1_2_4_triazinyl_The_First_Blatter_Radical_for_Coordination_Chemistry/2335933 DO - 10.1021/ic402954p.s001 L4 - https://ndownloader.figshare.com/files/3973537 KW - Radical 1 KW - 300 K KW - Coordination ChemistryA KW - ambient conditions KW - resonance spectroscopy KW - Magnetic susceptibility data KW - coordination purposes KW - interaction KW - Subsequent reaction KW - investigations support KW - bidentate fashion KW - Cu N2 - 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)2·2H2O (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···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. ER -