Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration

	Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration
	Zhu LZ(祝刘正); Wang CZ(王聪芝); Mei L(梅雷); Wang L(王琳); Zhao YL(赵宇亮); Chai ZF(柴之芳); Shi WQ(石伟群); Zhu, LZ; Wang, CZ; Mei, L
刊名	CRYSTENGCOMM
	2015
卷号	17 期号:15 页码:3031-3040
通讯作者	石伟群
英文摘要	Two novel uranyl coordination polymers, namely, UO2(bptc)(H(2)bpy)center dot(bpy) (1) and (UO2)(3)(bptc)(1.5)(phen)(2)(H2O)(2)center dot H2O (2) (H(4)bptc = 3,3',4,4'-benzophenonetetracarboxylic acid; bpy = 4,4'-bipyridine; phen = 1,10-phenanthroline), have been obtained via a hydrothermal method based on a semi-rigid aromatic tetracarboxylic ligand and two different auxiliary or templating N-containing ligands. Complex 1 shows a one-dimensional (1D) structure derived from double chains with two types of rings arranged alternately, which further exhibits an intriguing 3D supramolecular network induced by diverse non-covalent interactions. Complex 2 displays a dislocated "double floor" of a 2D structure (2D zigzag layers), in which the carboxylate groups of the bptc(4)-ligand adopt a variety of fascinating bridging modes. In addition, quantum chemical calculations were used to investigate the coordination properties and bonding nature of the as-synthesized complexes, and the results indicate that in these two complexes the 5f, 6d, and 7p orbitals of uranium and 2p orbitals of O and N atoms mainly contribute to the covalency of the U-O and U-N bonds.
学科主题	Chemistry; Crystallography
类目[WOS]	Chemistry, Multidisciplinary ; Crystallography
收录类别	SCI
WOS记录号	WOS:000352142800015
公开日期	2016-05-03
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/228360]
专题	高能物理研究所_院士高能物理研究所_多学科研究中心
推荐引用方式 GB/T 7714	Zhu LZ,Wang CZ,Mei L,et al. Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration[J]. CRYSTENGCOMM,2015,17(15):3031-3040.
APA	祝刘正.,王聪芝.,梅雷.,王琳.,赵宇亮.,...&Shi, WQ.(2015).Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration.CRYSTENGCOMM,17(15),3031-3040.
MLA	祝刘正,et al."Two novel uranyl complexes of a semi-rigid aromatic tetracarboxylic acid supported by an organic base as an auxiliary ligand or a templating agent: an experimental and theoretical exploration".CRYSTENGCOMM 17.15(2015):3031-3040.