A novel iron complex containing an N,O-type bidentate oxazoline ligand: Synthesis, X-ray studies, DFT calculations and catalytic activity

作者：Amini Mojtaba^*; Arab Ali; Derakhshandeh Parviz Gohari; Bagherzadeh Mojtaba; Ellern Arkady; Woo L Keith

来源：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2014, 133: 432-438.

DOI：10.1016/j.saa.2014.06.012

• Iron complex
• Oxazoline
• Crystal structure
• Sulfide oxidation
• DFT calculations

A five-coordinated Fe(III) complex with the distorted trigonal bipyramidal configuration was synthesized by reactions of FeCl3 center dot 6H(2)O and 2-(2%26apos;-hydroxyphenyl)oxazoline (Hphox) as a bidentate O-N donor oxazaline ligand. Complex [Fe(phox)(2)Cl] was fully characterized, including by single-crystal X-ray structure analysis. DFT calculations were accompanied with experimental results in order to obtain a deeper insight into the electronic structure and vibrational normal modes of complex. Oxidation of sulfides to sulfoxides in one-step was conducted by this complex as catalyst using urea hydrogen peroxide (UHP) in mixture of CH2Cl2/CH3OH (1:1) under air at room temperature. The results show that using this system in oxidation of sulfides, sulfoxides are obtained as the main products, together with variable amounts of sulfones (%26lt;= 13%), depending on the nature of the substrate.

• 出版日期2014-12-10