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Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds
Lu, HJ; Wang, YX; Wang, CZ; Chen, LH; Shi, WQ; Juan, DW; Chai, ZF; Albrecht-Schmitt, TE; Wang, S; Wang CZ(王聪芝); Shi WQ(石伟群)
2016
发表期刊INORGANIC CHEMISTRY
卷号55期号:17页码:8570-8575
通讯作者石伟群
文章类型期刊论文
摘要A unique two-dimensional inorganic cationic network with the formula [Th3O2(IO3)(5)(OH)(2)]Cl was synthesized hydrothermally. Its crystal structure can best be described as positively charged slabs built with hexanuclear thorium clusters connected by iodate trigonal pyramids. Additional chloride anions are present in the interlayer spaces but surprisingly are not exchangeable, as demonstrated by a series of CrO42- uptake experiments. This is because all chloride anions are trapped by multiple strong halogen halogen interactions with short Cl I bond lengths ranging from 3.134 to 3.333 angstrom, forming a special Cl-centered trigonal-pyramidal polyhedron as a newly observed coordination mode for halogen bonds. Density functional theory calculations clarified that electrons transformed from central Cl atoms to I atoms, generating a halogen halogen interaction energy with a value of about -8.3 kcal mol(-1) per Cl center dot center dot center dot I pair as well as providing a total value of -57.9 kcal mol(-1) among delocalized halogen-halogen bonds, which is a new record value reported for a single halogen atom. Additional hydrogen-bonding interaction is also present between Cl and OH, and the interaction energy is predicted to be -8.1 kcal mol(-1), confirming the strong total interaction to lock the interlayer Cl anions.
DOI10.1021/acs.inorgchem.6b01110
关键词[WOS]METAL-ORGANIC FRAMEWORK ; ANION-EXCHANGE ; CRYSTAL-STRUCTURES ; DIMETHYL ETHER ; CHARGE-DENSITY ; CL ; BR ; COORDINATION ; COMPLEXES ; CHEMISTRY
语种英语
WOS类目Chemistry, Inorganic & Nuclear
WOS记录号WOS:000382713900041
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文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/260392
专题多学科研究中心
作者单位中国科学院高能物理研究所
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GB/T 7714
Lu, HJ,Wang, YX,Wang, CZ,et al. Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds[J]. INORGANIC CHEMISTRY,2016,55(17):8570-8575.
APA Lu, HJ.,Wang, YX.,Wang, CZ.,Chen, LH.,Shi, WQ.,...&石伟群.(2016).Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds.INORGANIC CHEMISTRY,55(17),8570-8575.
MLA Lu, HJ,et al."Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds".INORGANIC CHEMISTRY 55.17(2016):8570-8575.
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