Twelve-coordinated sulfate hydrogen bonding interactions in water-containing Fe(II) system. (11th February 2019)

• Record Type: Journal Article
• Authors: Yang, Zaiwen; Lu, Shasha; Lan, Lin; Liu, Xiangrong; Zhao, Shunsheng; Sun, Shasha; Zhang, Zhen; Chen, Xinjuan; Yang, Zheng; Jia, Xiaodan
• Is Part Of: Molecular crystals and liquid crystals. Volume 680(2019)
• Page Start: 96
• Page End: 104
• Publication Date: 2019-02-11
• Subjects: sulfate -- hydrogen bonds -- supramolecular chemistry -- twelve-coordination -- anions; Molecular crystals -- Periodicals; Liquid crystals -- Periodicals; Liquid crystals; Molecular crystals; Periodicals; 548
• DOI: 10.1080/15421406.2019.1624400
• Languages: English
• ISSNs: 1542-1406

Abstract

Abstract: Twelve-coordinated sulfate hydrogen bonding interactions in water-containing Fe(II) system, [Fe0.5 (H2 O)3 ]2 SO4 ·H2 O (1 ), are reported herein. The X-ray single-crystal structural characterization suggests that the SO4 2− anion is coordinated by a total of twelve O–H···O hydrogen bonds from coordinated or free water molecules, with each sulfate O atom accepting three H-bonds in water-containing Fe(II) system. A well-defined cyclic R 4 3 (10) H-bonding motif is found in the sulfate − water clusters, which is extended into 2D sulfate − water H-bonding sheet. An 1D infinite [SO4 2− −H2 O]n chain is further cross-linked with the 2D H-bonding sheet above mentioned to form a 3D sulfate − water hydrogen bonding network stabilized by the O–H···O hydrogen bonds interactions. The sulfate saturated coordination of 12 hydrogen bonds from water molecules in its first hydration shell is confirmed by X-ray crystallography. GRAPHICAL ABSTRACT: The X-ray single-crystal structural characterization suggests that the SO4 2− anion is coordinated by a total of twelve O–H···O hydrogen bonds from coordinated or free water molecules, with each sulfate O atom accepting three H-bonds in water-containing Fe(II) system. The H-bonding interactions in the sulfate − water chains are also studied.