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2-(呋喃-2-基)-5-吡啶-2-基-1,3,4-恶二唑与铁和钴配合物的结构和磁性

The Structural and Magnetic Properties of Fe and Co Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole.

机构信息

Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic.

Institute of Physics, Faculty of Science, P.J. Šafárik University in Košice, Park Angelinum 9, SK-041 54 Košice, Slovakia.

出版信息

Molecules. 2020 Jan 9;25(2):277. doi: 10.3390/molecules25020277.

DOI:10.3390/molecules25020277
PMID:31936620
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7024161/
Abstract

Two novel coordination compounds containing heterocyclic bidentate ,-donor ligand 2-(furan-2-yl)-5-(pyridin-2-yl)-1,3,4-oxadiazole (fpo) were synthesized. A general formula for compounds originating from perchlorates of iron, cobalt, and fpo can be written as: M(fpo)(HO) (M = Fe(II) for () Co(II) for ()). The characterization of compounds was performed by general physico-chemical methods-elemental analysis (EA), Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) in case of organics, and single crystal X-ray diffraction (sXRD). Moreover, magneto-chemical properties were studied employing measurements in static field (DC) for and X-band EPR (Electron paramagnetic resonance), direct current (DC), and alternating current (AC) magnetic measurements in case of . The analysis of DC magnetic properties revealed a high spin arrangement in , significant rhombicity for both complexes, and large magnetic anisotropy in ( = -21.2 cm). Moreover, showed field-induced slow relaxation of the magnetization ( = 65.3 K). EPR spectroscopy and ab initio calculations (CASSCF/NEVPT2) confirmed the presence of easy axis anisotropy and the importance of the second coordination sphere.

摘要

合成了两种含有杂环双齿配体 2-（呋喃-2-基）-5-（吡啶-2-基）-1,3,4-恶二唑（fpo）的新型配合物。铁、钴和 fpo 高氯酸盐来源化合物的通式可以写成：M(fpo)(HO)（M = Fe(II) 对应 () Co(II) 对应 ()）。通过常规的物理化学方法-元素分析（EA）、傅里叶变换红外光谱（FT-IR）、核磁共振（NMR）（针对有机物）和单晶 X 射线衍射（sXRD）对化合物进行了表征。此外，通过静态场（DC）下的磁化学性质研究了 和 X 波段电子顺磁共振（EPR）、直流（DC）和交流（AC）磁测量。DC 磁性质分析表明， 在 中存在高自旋排列，对于两个配合物均存在明显的菱形性，并且在 中具有较大的磁各向异性（ = -21.2 cm）。此外， 表现出磁场诱导的磁化缓慢弛豫（ = 65.3 K）。EPR 光谱和从头算计算（CASSCF/NEVPT2）证实了存在易轴各向异性和第二配位球的重要性。

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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a26/7024161/9e3cb146e2c2/molecules-25-00277-sch001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a26/7024161/8a6c66d000a3/molecules-25-00277-sch002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a26/7024161/46cc28f81439/molecules-25-00277-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4a26/7024161/e6304e16b7e7/molecules-25-00277-g002.jpg
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