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Journal Articles Journal of Coordination Chemistry Year : 2021

Synthesis, crystal structure, magnetic, spectroscopic, and theoretical investigations of two new nitronyl-nitroxide complexes

Abstract

Two mononuclear complexes [(Et3NH)[M(hfac)2L] (M = Ni, 1; Zn, 2) have been synthesized using a nitronyl-nitroxide radical substituted nitrophenol, that is 2-(2-hydroxy-3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl, HL, as a proligand. The crystal structures of 1 and 2 have been solved and indicate an octahedral coordination geometry of the metal ions. The magnetic behavior for 1 is characterized by a strong antiferromagnetic metal–radical interaction (J = −351 ± 1 cm−1; H = −JSNiSRad). This exchange interaction was rationalized by DFT calculations. The EPR spectra recorded in both solution and solid state at 120 K confirm the S = ½ ground state for 1.
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hal-03188807 , version 1 (02-04-2021)

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Cristian Andrei Spinu, Céline Pichon, Gabriela Ionita, Teodora Mocanu, Sergiu Calancea, et al.. Synthesis, crystal structure, magnetic, spectroscopic, and theoretical investigations of two new nitronyl-nitroxide complexes. Journal of Coordination Chemistry, 2021, 74 (1-3), pp.279-293. ⟨10.1080/00958972.2021.1871900⟩. ⟨hal-03188807⟩
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