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

Liu Zheng Zhu, Cong Zhi Wang, Lei Mei, Lin Wang, Yun Hai Liu, Zhen Tai Zhu, Yu Liang Zhao, Zhi Fang Chai, Wei Qun Shi

Research output: Contribution to journalArticle

14 Scopus citations

Abstract

Two novel uranyl coordination polymers, namely, UO2(bptc)(H2bpy)·(bpy) (1) and (UO2)3(bptc)1.5(phen)2(H2O)2·H2O (2) (H4bptc = 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 bptc4- 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.

Original languageEnglish (US)
Pages (from-to)3031-3040
Number of pages10
JournalCrystEngComm
Volume17
Issue number15
DOIs
StatePublished - Apr 21 2015

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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