Synthesis, crystal structure, magnetic, spectroscopic, and theoretical investigations of two new nitronyl-nitroxide complexes. Issue 1 (8th January 2021)

• Record Type: Journal Article
• Authors: Spinu, Cristian Andrei; Pichon, Céline; Ionita, Gabriela; Mocanu, Teodora; Calancea, Sergiu; Raduca, Mihai; Sutter, Jean-Pascal; Hillebrand, Mihaela; Andruh, Marius
• Is Part Of: Journal of coordination chemistry. Volume 74:Issue 1/3(2021)
• Page Start: 279
• Page End: 293
• Publication Date: 2021-01-08
• Subjects: Nickel complexes -- nitronyl-nitroxide ligands -- magnetic properties -- EPR spectra -- zinc complexes; Coordination compounds -- Periodicals; 541.2242
• DOI: 10.1080/00958972.2021.1871900
• Languages: English
• ISSNs: 0095-8972

Abstract

Abstract: Two mononuclear complexes [(Et3 NH)[M(hfac)2 L] (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-1 H -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 = − J S Ni S Rad ). 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 . Graphical Abstract: