{"title":"类似蜂蜜的气味与单离子磁体：钴（II）与芳香族反肉桂酸配合物的合成、晶体结构和磁性","authors":"Petr Halaš, Ivan Nemec, R. Herchel","doi":"10.3390/magnetochemistry9110229","DOIUrl":null,"url":null,"abstract":"The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.","PeriodicalId":18194,"journal":{"name":"Magnetochemistry","volume":"849 1","pages":""},"PeriodicalIF":2.6000,"publicationDate":"2023-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Honey-like Odor Meets Single-Ion Magnet: Synthesis, Crystal Structure, and Magnetism of Cobalt(II) Complex with Aromatic Trans-Cinnamic Acid\",\"authors\":\"Petr Halaš, Ivan Nemec, R. Herchel\",\"doi\":\"10.3390/magnetochemistry9110229\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.\",\"PeriodicalId\":18194,\"journal\":{\"name\":\"Magnetochemistry\",\"volume\":\"849 1\",\"pages\":\"\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2023-11-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Magnetochemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.3390/magnetochemistry9110229\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Magnetochemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3390/magnetochemistry9110229","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
摘要
制备了含有反式肉桂酸（Hcin）和新乌头原碱（neo）的六配位 Co(II) 复合物 [Co(neo)2(cin)][BPh4]-½Me2CO（1-½Me2CO）。化合物 1-½Me2CO 通过单晶 X 射线分析、傅立叶变换红外光谱和磁性测量进行了表征。配合物阳离子的配位多面体呈变形的八面体形状，肉桂酸盐表现出双齿配位模式，这在单核 Co(II) 肉桂酸盐配合物中并不多见。利用零场分裂（ZFS）自旋哈密顿分析直流磁性测量结果发现，轴向 ZFS 参数 D = +53.2 cm-1 定义了较大的磁各向异性。交流电感测量显示，在外加磁场下磁化弛豫缓慢；因此，1-½Me2CO 表现为场诱导的单分子磁体。CASSCF/NEVPT2 计算也为磁性分析提供了支持。
Honey-like Odor Meets Single-Ion Magnet: Synthesis, Crystal Structure, and Magnetism of Cobalt(II) Complex with Aromatic Trans-Cinnamic Acid
The hexacoordinate Co(II) complex [Co(neo)2(cin)][BPh4]·½Me2CO (1·½Me2CO) containing trans-cinnamic acid (Hcin) and neocuproine (neo) was prepared. The compound 1·½Me2CO was characterized via single-crystal X-ray analysis, FT-IR spectroscopy, and magnetic measurements. The coordination polyhedron of the complex cation adopts a deformed octahedron shape, and cinnamate exhibits a bidentate mode of coordination, which is unusual for mononuclear Co(II) cinnamate complexes. The analysis of DC magnetic measurements with zero-field splitting (ZFS) spin Hamiltonian revealed large magnetic anisotropy defined by the axial ZFS parameter D = +53.2 cm−1. AC susceptibility measurements revealed the slow relaxation of magnetization under the applied field; thus, 1·½Me2CO behaves as a field-induced single-molecule magnet. The analysis of magnetic properties was also supported by CASSCF/NEVPT2 calculations.
期刊介绍：
Magnetochemistry (ISSN 2312-7481) is a unique international, scientific open access journal on molecular magnetism, the relationship between chemical structure and magnetism and magnetic materials. Magnetochemistry publishes research articles, short communications and reviews. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. Therefore, there is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced.
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