Novel Uranyl Coordination Polymers Based on Quinoline-Containing Dicarboxylate by Altering Auxiliary Ligands: From 1D Chain to 3D Framework

doi:10.1021/acs.cgd.6b00429

	Novel Uranyl Coordination Polymers Based on Quinoline-Containing Dicarboxylate by Altering Auxiliary Ligands: From 1D Chain to 3D Framework
	Zhu LZ(祝刘正); Wang CZ(王聪芝); Mei L(梅雷); Gao ZQ(高增强); Chai ZF(柴之芳); Shi WQ(石伟群); Hu, KQ; Zhu, LZ; Hu KQ(胡孔球); Wang, CZ
刊名	CRYSTAL GROWTH & DESIGN
	2016
卷号	16 期号:9 页码:4886
DOI	10.1021/acs.cgd.6b00429
通讯作者	石伟群
英文摘要	Novel uranyl coordination polymers, UO2(bqdc) (phen)center dot H2O (1), [UO2(mu-OH)(bqdc)-(H(2)bpy)(0.5) (H2O)] (2), Na[(UO2)(2)(bqdc)(3)Na(H2O)(2)] (3), and [Na(bqdc)(0.5)(bpp)(H2O)] (4) (H(2)bqdc = 2,2'-biquinoline-4,4'-dicarboxylic acid; phen = 1,10-phenanthroline; bpy = 4,4'-bipyridine; bpp = 1,3-di(4-pyridyl)propane), with bqdc(2-) ligands have been successfully synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction, Infrared spectroscopy (IR), thermogravimetric analysis (TGA), and powder X-ray diffraction (PXRD). The topological structures feature 1D chain to 3D framework by altering N-donor ancillary ligands. Compound 1 shows a 1D wave-shaped zigzag chain structure and further extends to a two-dimensional (2D) layer through pi center dot center dot center dot pi interactions between the quinoline ring of bqdc(2-) ligand and benzene ring of phen ligand. The uranium adopts an approximate hexagonal bipyramidal coordination geometry with the equatorial plane warped to the unusual chair conformation. Compound 2 features rectangular-shaped units with space range of 12.28(2) angstrom X 7.16(3) angstrom, exhibiting an intriguing 2D uranyl double layered motif formed by 1D ladder chains. The protonated bpy molecules provide space filling and form hydrogen bonds with the layers. Compound 3 is based upon 3D heterometallic frameworks constructed from UO22+, Na+, and bqdc(2-) ligands. The most striking feature of compound 3 is that one sodium ion is located in the middle of two adjacent uranyl ions, forming the trinuclear heterometal clusters (U2Na), which are further connected by bqdc(2-) ligands to generate UOFs with the cavity size of 10.07(0) angstrom x 13.86(2) angstrom. The local 1D structure of compound 3 is similar to the zigzag chain of compound 1. Compound 4 displays 1D chain structure and further extends to 3D framework via hydrogen bond and pi center dot center dot center dot pi interactions. Moreover, the electronic structural and bonding properties of the uranyl compounds 1-3 have been systematically explored by density functional theory (DFT) calculations.
语种	英语
WOS记录号	WOS:000382902400014
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/261067]
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
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Zhu LZ,Wang CZ,Mei L,et al. Novel Uranyl Coordination Polymers Based on Quinoline-Containing Dicarboxylate by Altering Auxiliary Ligands: From 1D Chain to 3D Framework[J]. CRYSTAL GROWTH & DESIGN,2016,16(9):4886.
APA	祝刘正.,王聪芝.,梅雷.,高增强.,柴之芳.,...&Shi, WQ.(2016).Novel Uranyl Coordination Polymers Based on Quinoline-Containing Dicarboxylate by Altering Auxiliary Ligands: From 1D Chain to 3D Framework.CRYSTAL GROWTH & DESIGN,16(9),4886.
MLA	祝刘正,et al."Novel Uranyl Coordination Polymers Based on Quinoline-Containing Dicarboxylate by Altering Auxiliary Ligands: From 1D Chain to 3D Framework".CRYSTAL GROWTH & DESIGN 16.9(2016):4886.