Synthesis, characterization, DFT studies, and immobilization of cobalt(II) complex with N,N^′,N^″-tris(2-pyrimidinyl)dimethylentriamine on modified iron oxide as oxidation catalyst

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• 作者：Masoomeh Sharbatdaran^a ; Faezeh Farzaneh^b ; ^{faezeh_farzaneh@yahoo.com" class="auth_mail" title="E-mail the corresponding author} ; ^{Farzaneh@alzahra.ac.ir" class="auth_mail" title="E-mail the corresponding author} ; Majid Mojtahedzadeh Larijani^c ; Alireza Salimi^d ; Mina Ghiasi^d ; Mehdi Ghandi^e
• 关键词：Cobalt complex ; N ; N&prime ; N&Prime ; -tris(2-pyrimidinyl)dimethylentriamine ; Magnetic nanoparticles ; Oxidation ; Alkenes
• 刊名：Polyhedron
• 出版年：2016
• 出版时间：5 September 2016
• 年：2016
• 卷：115
• 期：Complete
• 页码：264-275
• 全文大小：3823 K

文摘

[Co₃(PDMT)Cl₆] complex, in which PDMT is N,N^′,N^″-tris(2-pyrimidinyl)dimethylentriamine was prepared in cyclohexanol under hydrothermal condition. At first, the crystal structure of PDMT was solved based on the Rietveld method by using laboratory X-ray powder diffraction data. The molecular geometry of the ligand and complex were optimized by B3LYP method. In order to heterogenize the prepared complex, it was immobilized on the modified Fe₃O₄ nanoparticles with (3-aminopropyl)trimethoxysilane (APTMS). The prepared compound designated as Fe₃O₄@SiO₂-2@APTMS@[Co₃(PDMT)Cl₆] was found to successfully catalyze the epoxidation of cyclooctene, styrene, cyclohexene, trans-stilbene as well as oxidation of fluorene, diphenylmethane, ethylbenzene, adamantane, cyclohexane, cyclooctane and norbornene with TBHP as oxidant with 25–100% conversions and 18–100% selectivities. Ligand, complex and Fe₃O₄@SiO₂-2@APTMS@[Co₃(PDMT)Cl₆] were characterized by FT-IR, TEM, XRD, Mass, UV–Vis, DSC-TGA, NMR, GC and GC–Mass techniques.