Synthesis, structure and characterisation of (渭-aqua)(diaqua)(渭₃-benzene-dicarboxylate-魏O1,O2)strontium(II) coordination polymer

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• 作者：Mohamed Ghazzali ; Miftahul Khair ; Khalid Al-Farhan ; Jan Reedijk
• 关键词：Crystal structure ; Strontium ; Terephthalate ; Coordination polymer ; DFT
• 刊名：Inorganica Chimica Acta
• 出版年：1 January, 2014
• 年：2014
• 卷：409
• 期：part_PB
• 页码：503-506
• 全文大小：1018 K

文摘

The hydrothermal synthesis and structural elucidation is reported for the compound with formula [Sr(terephthalate)(H₂O)₃]. The strontium (2+) ion is 8-coordinated with 2 waters, 1 bridging water, and a triple bridging 1 benzene-dicarboxylate (terephthalate) generating a zig-zag Sr-O-C-O-Sr chain. The terephthalate anion has only one COO^{鈭?/sup> group coordinating to 3 Sr ions: chelating to the central one, and exo bridging, using each one O to 2 neighboring Sr ions along a-crystallographic axis; thereby forming a zig-zag-like one-dimensional coordination polymer. One water molecule provides additional bridge between the metal ions with a Sr-Sr distance of 3.808(8) 脜. From the non-coordinating anionic COO鈭?/sup> group, each O accepts 3 hydrogen bonds from both monodentate and bridging water molecules, with O-O contact distance between 2.739 and 2.962 脜, thus bridging the chains into a 3D-hydrogen bonding network. The thermal gravimetry is discussed, and an analysis of hydrogen bonding by DFT theoretical calculations is presented.}