Cargando…
Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates
The solid-state structures of the Na(+), Li(+), and NH(4) (+) salts of the 4,5-dihydroxybenzene-1,3-disulfonate (tiron) dianion are reported, namely disodium 4,5-dihydroxybenzene-1,3-disulfonate, 2Na(+)·C(6)H(4)O(8)S(2) (2−), μ-4,5-dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemi...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038641/ https://www.ncbi.nlm.nih.gov/pubmed/30002886 http://dx.doi.org/10.1107/S2056989018008009 |
_version_ | 1783338537711566848 |
---|---|
author | Herbst-Gervasoni, Corey J. Gau, Michael R. Zdilla, Michael J. Valentine, Ann M. |
author_facet | Herbst-Gervasoni, Corey J. Gau, Michael R. Zdilla, Michael J. Valentine, Ann M. |
author_sort | Herbst-Gervasoni, Corey J. |
collection | PubMed |
description | The solid-state structures of the Na(+), Li(+), and NH(4) (+) salts of the 4,5-dihydroxybenzene-1,3-disulfonate (tiron) dianion are reported, namely disodium 4,5-dihydroxybenzene-1,3-disulfonate, 2Na(+)·C(6)H(4)O(8)S(2) (2−), μ-4,5-dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemihydrate, [Li(2)(C(6)H(4)O(8)S(2))(H(2)O)(2)]·0.5H(2)O, and diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate, 2NH(4) (+)·C(6)H(4)O(8)S(2) (2−)·H(2)O. Intermolecular interactions vary with the size of the cation, and the asymmetric unit cell, and the macromolecular features are also affected. The sodium in Na(2)(tiron) is coordinated in a distorted octahedral environment through the sulfonate oxygen and hydroxyl oxygen donors on tiron, as well as an interstitial water molecule. Lithium, with its smaller ionic radius, is coordinated in a distorted tetrahedral environment by sulfonic and phenolic O atoms, as well as water in Li(2)(tiron). The surrounding tiron anions coordinating to sodium or lithium in Na(2)(tiron) and Li(2)(tiron), respectively, result in a three-dimensional network held together by the coordinate bonds to the alkali metal cations. The formation of such a three-dimensional network for tiron salts is relatively rare and has not been observed with monovalent cations. Finally, (NH(4))(2)(tiron) exhibits extensive hydrogen-bonding arrays between NH(4) (+) and the surrounding tiron anions and interstitial water molecules. This series of structures may be valuable for understanding charge transfer in a putative solid-state fuel cell utilizing tiron. |
format | Online Article Text |
id | pubmed-6038641 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-60386412018-07-12 Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates Herbst-Gervasoni, Corey J. Gau, Michael R. Zdilla, Michael J. Valentine, Ann M. Acta Crystallogr E Crystallogr Commun Research Communications The solid-state structures of the Na(+), Li(+), and NH(4) (+) salts of the 4,5-dihydroxybenzene-1,3-disulfonate (tiron) dianion are reported, namely disodium 4,5-dihydroxybenzene-1,3-disulfonate, 2Na(+)·C(6)H(4)O(8)S(2) (2−), μ-4,5-dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemihydrate, [Li(2)(C(6)H(4)O(8)S(2))(H(2)O)(2)]·0.5H(2)O, and diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate, 2NH(4) (+)·C(6)H(4)O(8)S(2) (2−)·H(2)O. Intermolecular interactions vary with the size of the cation, and the asymmetric unit cell, and the macromolecular features are also affected. The sodium in Na(2)(tiron) is coordinated in a distorted octahedral environment through the sulfonate oxygen and hydroxyl oxygen donors on tiron, as well as an interstitial water molecule. Lithium, with its smaller ionic radius, is coordinated in a distorted tetrahedral environment by sulfonic and phenolic O atoms, as well as water in Li(2)(tiron). The surrounding tiron anions coordinating to sodium or lithium in Na(2)(tiron) and Li(2)(tiron), respectively, result in a three-dimensional network held together by the coordinate bonds to the alkali metal cations. The formation of such a three-dimensional network for tiron salts is relatively rare and has not been observed with monovalent cations. Finally, (NH(4))(2)(tiron) exhibits extensive hydrogen-bonding arrays between NH(4) (+) and the surrounding tiron anions and interstitial water molecules. This series of structures may be valuable for understanding charge transfer in a putative solid-state fuel cell utilizing tiron. International Union of Crystallography 2018-06-08 /pmc/articles/PMC6038641/ /pubmed/30002886 http://dx.doi.org/10.1107/S2056989018008009 Text en © Herbst-Gervasoni et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Herbst-Gervasoni, Corey J. Gau, Michael R. Zdilla, Michael J. Valentine, Ann M. Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title | Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title_full | Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title_fullStr | Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title_full_unstemmed | Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title_short | Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
title_sort | crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038641/ https://www.ncbi.nlm.nih.gov/pubmed/30002886 http://dx.doi.org/10.1107/S2056989018008009 |
work_keys_str_mv | AT herbstgervasonicoreyj crystalstructuresofsodiumlithiumandammonium45dihydroxybenzene13disulfonatetironhydrates AT gaumichaelr crystalstructuresofsodiumlithiumandammonium45dihydroxybenzene13disulfonatetironhydrates AT zdillamichaelj crystalstructuresofsodiumlithiumandammonium45dihydroxybenzene13disulfonatetironhydrates AT valentineannm crystalstructuresofsodiumlithiumandammonium45dihydroxybenzene13disulfonatetironhydrates |