Among the plethora of bench-stable radicals investigated, the 1,2,4- benzotriazinyl radicals, first prepared in 1968 by H. M. Blatter, are one such class of molecules that remained less explored since a decade.1,2 In the recent year, the chemistry of the benzo[e] [1,2,4] triazin-4-yl radical gained much attention to the scientists due to its exceptional stability, spin pi-delocalization, narrow electrochemical window, and low excitation energies. 3 We aimed to design and synthesize a stable Blatter radical (1,3- diphenyl-1,4-dihydro-1,2,4-benzotriazin-4-yl) derivative by substituting halogen group at C-7 position to see the effect of halogen group on the solid-state structure and magnetic response (Scheme). All three radicals have a chelating pocket for coordination, however, they being isostructural, we chose the I-substituted radical to explore the coordination chemistry. The synthesized complexes, bear the formula [Cu(hfac)2 (Rad 3c) ·CHCl3] (1) and [Zn(hfac)2 (Rad 3c) ·CHCl3] (2). They were characterized by single X-ray diffraction and other spectroscopic techniques. Variable temperature magnetic susceptibility measurements were performed to examine the nature of magnetic interactions and theoretical calculations were performed to correlate both the metal–radical and radical-radical exchange couplings with experimental findings.

Halo-substituted Benzotriazinyl Radicals and its Metal Complexes: Synthesis, Structures and Magnetic Properties

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27th CRSI National Symposium in Chemistry

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