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Three-dimensional alkaline earth metal-organic framework poly[[μ-aqua-aqua-bis-(μ 3 -carba-moyl-cyano-nitro-somethanido)barium] monohydrate] and its thermal decomposition.
- Source :
-
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2024 Aug 30; Vol. 80 (Pt 9), pp. 986-992. Date of Electronic Publication: 2024 Aug 30 (Print Publication: 2024). - Publication Year :
- 2024
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Abstract
- In the structure of the title salt, {[Ba(μ <subscript>3</subscript> -C <subscript>3</subscript> H <subscript>2</subscript> N <subscript>3</subscript> O <subscript>2</subscript> ) <subscript>2</subscript> (μ-H <subscript>2</subscript> O)(H <subscript>2</subscript> O)]·H <subscript>2</subscript> O} <subscript> n </subscript> , the barium ion and all three oxygen atoms of the water mol-ecules reside on a mirror plane. The hydrogen atoms of the bridging water and the solvate water mol-ecules are arranged across a mirror plane whereas all atoms of the monodentate aqua ligand are situated on this mirror plane. The distorted ninefold coord-ination of the Ba ions is completed with four nitroso-, two carbonyl- and three aqua-O atoms at the distances of 2.763 (3)-2.961 (4) Å and it is best described as tricapped trigonal prism. The three-dimensional framework structure is formed by face-sharing of the trigonal prisms, via μ-nitroso- and μ-aqua-O atoms, and also by the bridging coordination of the anions via carbonyl-O atoms occupying two out of the three cap positions. The solvate water mol-ecules populate the crystal channels and facilitate a set of four directional hydrogen bonds. The principal Ba-carbamoyl-cyano-nitro-somethanido linkage reveals a rare example of the inherently polar binodal six- and three-coordinated bipartite topology (three-letter notation sit ). It suggests that small resonance-stabilized cyano-nitroso anions can be utilized as bridging ligands for the supra-molecular synthesis of MOF solids. Such an outcome may be anti-cipated for a broader range of hard Lewis acidic alkaline earth metal ions, which perfectly match the coordination preferences of highly nucleophilic nitroso-O atoms. Thermal analysis reveals two-stage dehydration of the title compound (383 and 473 K) followed by decomposition with release of CO <subscript>2</subscript> , HCN and H <subscript>2</subscript> O at 558 K.<br /> (© Domasevitch et al. 2024.)
Details
- Language :
- English
- ISSN :
- 2056-9890
- Volume :
- 80
- Issue :
- Pt 9
- Database :
- MEDLINE
- Journal :
- Acta crystallographica. Section E, Crystallographic communications
- Publication Type :
- Academic Journal
- Accession number :
- 39267863
- Full Text :
- https://doi.org/10.1107/S2056989024008375