Assembly of a mononuclear ferrous site using a bulky aldehyde-imidazole ligand

作者：Li Jia; Molenda Monika A; Biros Shannon M; Staples Richard J; Chavez Ferman A^*

来源：Inorganica Chimica Acta, 2017, 464: 152-156.

DOI：10.1016/j.ica.2017.05.028

• Iron(II)
• Imidazole
• Aldehyde
• X-ray crystallography
• Magnetic susceptibility
• DFT

A new iron(II) complex has been prepared and characterized. [Fe(TrImA)(2)(OTf)(2)] (1, TrImA = 1-Tritylimidazole-4-carboxaldehyde). The solid state structure of 1 has been determined by X-ray crystallography. Compound 1 crystallizes in monoclinic space group P2(1)/c, with a = 10.8323(18) angstrom, b = 8.1606(13) angstrom and c = 24.818(4) angstrom. The iron center is coordinated to two imidazole groups, two pendant aldehyde-derived carbonyl oxygens and two triflate oxygens. The complex is high spin between 300 and 201< as indicated by variable field variable temperature magnetic measurements. A fit of the magnetic data yielded g=2.17 and D = 4.05 cm(-1). A large HOMO-LUMO gap energy (4.49 eV) exists for 1 indicating high stability.

• 出版日期2017-8-1