Literature DB >> 29238096

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

Jia Li1, Monika A Molenda1, Shannon M Biros2, Richard J Staples2, Ferman A Chavez1.   

Abstract

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 P21/c, with a = 10.8323(18) Å, b = 8.1606(13) Å and c = 24.818(4) Å. 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 20 K 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.

Entities:  

Keywords:  Aldehyde; DFT; Imidazole; Iron(II); Magnetic susceptibility; X-ray crystallography

Year:  2017        PMID： 29238096      PMCID： PMC5724793          DOI： 10.1016/j.ica.2017.05.028

Source DB:  PubMed          Journal:  Inorganica Chim Acta        ISSN： 0020-1693            Impact factor:   2.545


  38 in total

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