Molecular Structure Prediction of Iron(III) Complexes with a Biodegradative Chelating Agent

DOI Web Site 7 References Open Access
  • OTOMO Shuichi
    Department of Material and Biological Chemistry, Faculty of Science, Yamagata University Kojirakawa 1-4-12, Yamagata 990-8560, Japan
  • SAKIYAMA Hiroshi
    Department of Material and Biological Chemistry, Faculty of Science, Yamagata University Kojirakawa 1-4-12, Yamagata 990-8560, Japan

Bibliographic Information

Other Title
  • 生分解性キレート剤が作る鉄(III)錯体の構造予測

Description

The structures of iron(III) complexes with biodegradative chelating agent, methylglycinediacetic acid [H3(mgda)], were computationally predicted based on the DFT method. The structures of dinuclear iron(III) complexes, [Fe2O(mgda)2(CO3)]4– and [Fe2O(mgda)2(H2O)4]2–, were predicted, and the structures were thought to be similar to those of related dinuclear iron(III) complexes with nitrilotriacetate (nta3–), [Fe2O(nta)2(CO3)]4– and [Fe2O(nta)2(H2O)4]2–, respectively. The mgda complex, [Fe2O(mgda)2(H2O)4]2–, is thought to interact with hydrogen peroxide like the nta complex [Fe2O(nta)2(H2O)4]2–.

Journal

References(7)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top