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题名: A substituent effect of phenylacetic acid coligand perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation
作者: Liu, Xiangyu1;  Ma, Xiaohui1;  Cen, Peipei1, 2;  Wu, Yuewei1;  Zhang, Chengcheng1;  Shi, Quan3;  Song, Weiming1;  Xi, Gang2;  Chen, Sanping2
刊名: DALTON TRANSACTIONS
发表日期: 2017-06-21
DOI: 10.1039/c7dt01338h
卷: 46, 页:7556-7566
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Inorganic & Nuclear
研究领域[WOS]: Chemistry
英文摘要: Based on two fluoro-substituted phenylacetate isomers, o-fluorophenylacetic acid (o-Hfpa) and p-fluorophenylacetic acid (p-Hfpa), two new Cu(II)-azido compounds, [Cu(o-fpa)(N-3)(C2H5OH)](n) (1) and [Cu(p-fpa)(N-3)(C2H5OH)](n) (2), have been prepared, and structurally and magnetically characterized. Single- crystal structure analyses indicate that compounds 1 and 2 consist of 1D chain-like coordination networks in which adjacent copper cations are linked by the alternating triple-bridges of mu-1,1-azido, syn, syn-carboxylate and mu 2-ethanol. For the two title compounds, the diverse charge distributions on the carboxyl groups caused by distinct substituent effects of the two phenylacetate coligands lead to the different structural parameters of intrachain Cu-Cu distances (3.218 angstrom for 1 and 3.168 angstrom for 2) and Cu-N-Cu angles (106.82(omicron) for 1 and 104.81(omicron) for 2), further resulting in the disparity of magnetic behaviors. The dominant ferromagnetic couplings between neighbouring Cu(II) ions in the two compounds (J = 87.08 cm(-1) for 1, J = 66.05 cm(-1) for 2) are due to the counter-complementarity of the multiple superexchange pathways, contributing to the interesting plots of a ferromagnetic order (T-c = 11.0 K for 1, 9.5 K for 2) and slow magnetic relaxation that are rarely observed in most of the reported azido-Cu(II) architectures. Heat-capacity experiments further emphasize the characteristic long-range ferromagnetic ordering in compounds 1 and 2. Magneto-structural relationships of 1 and 2 are investigated as well. Moreover, DFT calculations (using different methods and basis sets) have been performed on both compounds to provide a qualitative and quantitative theoretical explanation of their magnetic behavior.
关键词[WOS]: END-ON AZIDO ;  TRANSITION-METAL-COMPLEXES ;  SINGLE-MOLECULE MAGNETS ;  COPPER(II) COORDINATION POLYMERS ;  EXCHANGE COUPLING-CONSTANTS ;  DENSITY-FUNCTIONAL THEORY ;  CRYSTAL-STRUCTURE ;  CO-II ;  POLYNUCLEAR COMPLEXES ;  CARBOXYLATE BRIDGES
语种: 英语
WOS记录号: WOS:000403436200022
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/152114
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Ningxia Univ, Coll Chem & Chem Engn, State Key Lab High Efficiency Coal Utilizat & Gre, Yinchuan 750021, Peoples R China
2.Northwest Univ Xian, Coll Chem & Mat Sci, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China

Recommended Citation:
Liu, Xiangyu,Ma, Xiaohui,Cen, Peipei,et al. A substituent effect of phenylacetic acid coligand perturbed structures and magnetic properties observed in two triple-bridged azido-Cu(II) chain compounds with ferromagnetic ordering and slow magnetic relaxation[J]. DALTON TRANSACTIONS,2017,46:7556-7566.
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