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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
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
2015
发表期刊Inorg. Chem.
卷号54期号:10页码:4752-4760
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.
文章类型论文
学科领域金属有机化学
DOI10.1021/acs.inorgchem.5b00138
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收录类别SCI
语种英语
WOS记录号WOS:000354908000021
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文献类型期刊论文
条目标识符http://ir.sioc.ac.cn/handle/331003/39602
专题金属有机化学国家重点实验室
通讯作者Luo Y(罗一); Deng L(邓亮)
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
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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.
APA 刘月盛.,罗伦.,肖洁.,王磊.,宋友.,...&邓亮.(2015).Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution.Inorg. Chem.,54(10),4752-4760.
MLA 刘月盛,et al."Four-Coordinate Iron(II) Diaryl Compounds with Monodentate N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Their Tetrahedral-Square Planar Isomerization in Solution".Inorg. Chem. 54.10(2015):4752-4760.
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