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Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin; Ahl, Rion; Carajias, Eirene D.; Chan, Jason W. K.; Guo, Zhihao; Hill, Renee E.; McGinty, Alice; Peters, Neale L.; Poon, Joshua Y. P.; Qu, Jingqi; Qu, Jinglin; Rochette, Emily E.; Walkear, Catherine; Wang, Hanlin; Wu, Holly; Xu, Chang; Zhang, Jingyuan

Complexes of 2,4,6-trihydroxybenzoic acid: effects of intramolecular hydrogen bonding on ligand geometry and metal binding modes

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  • Media type: E-Article
  • Title: Complexes of 2,4,6-trihydroxybenzoic acid: effects of intramolecular hydrogen bonding on ligand geometry and metal binding modes
  • Contributor: Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin; Ahl, Rion; Carajias, Eirene D.; Chan, Jason W. K.; Guo, Zhihao; Hill, Renee E.; McGinty, Alice; Peters, Neale L.; Poon, Joshua Y. P.; Qu, Jingqi; Qu, Jinglin; Rochette, Emily E.; Walkear, Catherine; Wang, Hanlin; Wu, Holly; Xu, Chang; Zhang, Jingyuan
  • Published: International Union of Crystallography (IUCr), 2022
  • Published in: Acta Crystallographica Section C Structural Chemistry, 78 (2022) 11, Seite 653-670
  • Language: Not determined
  • DOI: 10.1107/s2053229622009901
  • ISSN: 2053-2296
  • Origination:
  • Footnote:
  • Description: This article describes a series of more than 20 new compounds formed by the combination of 2,4,6-trihydroxybenzoic acid (H4thba) with metal ions in the presence of a base, with structures that include discrete molecular units, chains, and two- and three-dimensional networks. As a result of the presence of two ortho-hydroxy groups, H4thba is a relatively strong acid (pK a1 = 1.68). The carboxylate group in H3thba− is therefore considerably less basic than most carboxylates with intramolecular hydrogen bonds, conferring a rigid planar geometry upon the anion. These characteristics of H3thba− significantly impact upon the way it interacts with metal ions. In s-block metal compounds, where the interaction of the metal centres with the carboxylate O atoms is essentially ionic, the anion bonds to up to three metal centres via a variety of binding modes. In cases where the metal ion is able to form directional coordinate bonds, however, the carboxylate group tends to bond in a monodentate mode, interacting with just one metal centre in the syn mode. A dominant influence on the structures of the complexes seems to be the face-to-face stacking of the aromatic rings, which creates networks containing layers of metal–oxygen polyhedra that participate in hydrogen bonding. This investigation was undertaken, in part, by a group of secondary school students as an educational exercise designed to introduce school students to the technique of single-crystal X-ray diffraction and enhance their understanding of primary and secondary bonding.