一种新型席夫碱十核铜簇合物的合成、结构、磁性以及Hirshfeld表面分析  

Synthesis,Structure,Magnetic Properties,and Hirshfeld Surface Analysis of a Novel Schiff Alkali Decanuclear Copper Cluster

作　　者：袁灵钰 周嘉浩 李光照 张淑华 YUAN Lingyu;ZHOU Jiahao;LI Guangzhao;ZHANG Shuhua(School of Chemistry,Guangdong University of Petrochemical Technology,Maoming 525000,China;School of Chemistry and Bioengineering,Guilin University of Technology,Guilin 541004,China)

机构地区：[1]广东石油化工学院化学学院,广东茂名525000 [2]桂林理工大学化学与生物工程学院,广西桂林541004

出　　处：《广东石油化工学院学报》2024年第4期32-38,共7页Journal of Guangdong University of Petrochemical Technology

基　　金：国家自然科学基金项目(21861014);广东石油化工学院高层次人才项目(2020RC033)。

摘　　要：通过常温微反应瓶法获得一个新型十核铜配位簇合物{[Cu_(10)(L)_(8)(CH_(3)COO)_(2)(μ_(3)-OH)_(2)]·(DMF)·(H_(2)O)_(2)}(1,H2L=3-氨基-1,2,4-三氮唑缩3-乙氧基水杨醛席夫碱),并对这个簇合物进行了一系列性质表征,如元素分析、热重分析、红外光谱和单晶X射线衍射等;研究了该簇合物的磁性,结果表明分子内铜离子之间成反铁磁相互作用;通过Hirshfeld表面分析和二维指纹图谱分析该簇合物分子间的相互作用力,结果表明H…H、C…H相互作用是分子间主要的相互作用力,分别占总作用力的51.5%和17.0%。A novel decanuclear copper cluster,{[Cu_(10)(L)_(8)(CH_(3)COO)_(2)(μ_(3)-OH)_(2)]·(DMF)·(H_(2)O)_(2)}(1,H_(2)L=(E)-2-(((3H-1,2,4-triazol-3-yl)imino)methyl)-6-ethoxyphenol,DMF=N,N’-dimethyl-formamide),was obtained by micro-bottle reaction at room temperature.The cluster 1 was characterized using elemental analysis,infrared spectroscopy and single-crystal X-ray diffractometry(SC-XRD).The{Cu10O4(N2triazol)8}core displays dominant antiferromagnetic interactions.Analysis of the intermolecular interaction forces of this cluster compound by Hirshfeld surface analysis and 2-D fingerprint analysis.The results of Hirshfeld surface analysis indicate that H…H,C…H interaction is the main intermolecular interaction force which represent 51.5% and 17.0% of the entire Hishfeld surface,respectively.

关 键 词：席夫碱 结构 磁性 Hirshfeld表面分析 

分 类 号：O741[理学—晶体学]