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学科主题: 金属有机化学
题名: Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution
其他题名: 单齿氮杂环卡宾配体支撑的四配位二价铁芳基化合物的合成、表征及其溶液相性质研究
作者: Liu YS(刘月盛)1; Luo L(罗伦)1; Xiao J(肖洁)1; Wang L(王磊)1; Song Y(宋友)1; Qu JP(曲景平)1; Luo Y(罗一)1; Deng L(邓亮)1
通讯作者: 罗一 ; 邓亮
刊名: Inorg. Chem.
发表日期: 2015
DOI: 10.1021/acs.inorgchem.5b00138
卷: 54, 期:10, 页:4752-4760
收录类别: SCI
文章类型: 论文
英文摘要: The salt elimination reactions of (IPr2Me2)(2)FeCl2 (IPr2Me2 = 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene) with the corresponding aryl Grignard reagents afford [(IPr2Me2)(2)FeAr2] (Ar = Ph, 3; C6H4-p-Me, 4; C6H4-p-tBu, 5; C6H3-3,5-(CF3)(2), 6) in good yields. X-ray crystallographic studies revealed the presence of both tetrahedral and trans square planar isomers for 3 and 6 and the tetrahedral structures for 4 and 5. Magnetic susceptibility and Fe-57 Mossbauer spectrum measurements on the solid samples indicated the high-spin (S = 2) and intermediate-spin (S = 1) nature of the tetrahedral and square planar structures, respectively. Solution property studies, including solution magnetic susceptibility measurement, variable-temperature H-1 and F-19 NMR, and absorption spectroscopy, on 3-6, as well as an Fe-57 Mossbauer spectrum study on a frozen tetrahydrofuran solution of tetrahedral [(IPr2Me2)(2)(FePh2)-Fe-57] suggest the coexistence of tetrahedral and trans square planar structures in solution phase. Density functional theory calculations on (IPr2Me2)(2)FePh2 disclosed that the tetrahedral and trans square planar isomers are close in energy and that the geometry isomerization can occur by spin-change-coupled geometric transformation on four-coordinate iron(II) center.
语种: 英语
相关网址: 查看原文
WOS记录号: WOS:000354908000021
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内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/39602
Appears in Collections:金属有机化学国家重点实验室_期刊论文

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作者单位: 1.中科院上海有机化学研究所, 金属有机化学国家重点实验室
2.大连理工大学
3.南京大学

Recommended Citation:
Liu YS,Luo L,Xiao J,et al. Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution[J]. Inorg. Chem.,2015,54(10):4752-4760.
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