A biradical chelate Zn(II) complex with phenoxazin-1-one ligands

作者：Ivakhnenko Eugeny P; Starikov Andrey G^*; Lyssenko Konstantin A; Ovcharenko Victor I; Bogomyakov Artem S; Veber Sergey L; Minkin Vladimir I

来源：Inorganica Chimica Acta, 2014, 410: 144-149.

DOI：10.1016/j.ica.2013.10.031

• Zn complex
• Redox-active ligand
• X-ray crystal structure
• Exchange interaction
• DFT calculation

A stable biradical bis-chelate complex 3, bis-[2,4,6,8-tetra-(tert-butyl) phenoxazinonato] Zn(II), based on redox-active ligands has been prepared and structurally characterized by X-ray crystallography. Lengths of the coordination Zn-O bonds are equal to 1.938 and 2.008 angstrom and those of the intraligand C-N and C-O bonds (1.356 and 1.308 angstrom, respectively) point to radical-anion form of the phenoxazinone ligand. Effective magnetic moment of a microcrystalline sample of 3 measured at 70 K is equal 2.53 mu(B), and steadily decreases to 2.39 mu(B) upon elevation of temperature. EPR, UV-Vis measurements and DFT B3LYP6-311++G(d, p) calculations show that 3 has the ground triplet electronic state characterized with weak ferromagnetic coupling of the unpaired electrons localized on the ligands.

• 出版日期2014-1-30