| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1305813 | Inorganica Chimica Acta | 2014 | 4 Pages |
•A chain coordination polymer of Sr(II) with μ3-bridging terephthalate is reported.•One terephthalate carboxylate and one water molecules are bridging Sr(II) ions.•An analysis of the involved hydrogen bonding by DFT calculations is presented.
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− 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) Å. From the non-coordinating anionic COO− 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 Å, 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.
Graphical abstract(μ-aqua)(diaqua)(μ3-benzene-dicarboxylate-κO1,O2)Sr(II) chains connected by hydrogen bonds.Figure optionsDownload full-size imageDownload as PowerPoint slide
