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. 2024 Jan 15;27(2):108917.
doi: 10.1016/j.isci.2024.108917. eCollection 2024 Feb 16.

Selective recognition and extraction of iodide from pure water by a tripodal selenoimidazol(ium)-based chalcogen bonding receptor

Abu S M Islam  1 , Sourav Pramanik  1 , Sahidul Mondal  1 , Rajib Ghosh  1 , Pradyut Ghosh  1
Affiliations

Selective recognition and extraction of iodide from pure water by a tripodal selenoimidazol(ium)-based chalcogen bonding receptor

Abu S M Islam et al. iScience. .

Abstract

A selenium-based tripodal chalcogen bond (ChB) donor TPI-3Se is demonstrated for the recognition and extraction of I- from 100% water medium. NMR and ITC studies with the halides reveal that the ChB donor selectively binds with the large, weakly hydrated I-. Interestingly, I- crystallizes out selectively in the presence of other halides supporting the superiority of the selective recognition of I-. The X-ray structure of the ChB-iodide complex manifests both the μ1 and μ2 coordinated interactions, which is rare in the C-Se···I chalcogen bonding. Furthermore, to validate the selective I- binding potency of TPI-3Se in pure water, comparisons are made with its hydrogen and halogen bond donor analogs. The computational analysis also provides the mode of I- recognition by TPI-3Se. Importantly, this receptor is capable of extracting I- from pure water through selenium sigma-hole and I- interaction with a high degree of efficiency (∼70%).

Keywords: Chemistry; Inorganic chemistry; Natural sciences.

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Conflict of interest statement

The authors declare no competing interests.

Figures

None
Graphical abstract
Scheme 1
Scheme 1
Synthesis route of ChB anion receptor TPI-3Se and structures of analogous TPI-3H and TPI-3I
Figure 1
Figure 1
X-ray crystallographic μ1 and μ2 coordinated structures of TPI-3Se–I ChB interaction represented with cyan dash line. Purple = Iodine, blue = Nitrogen, yellow = Selenium. All H atoms are removed for clarity.
Figure 2
Figure 2
Computed electrostatic potential surface of TPI-3Se; negative charge density (red), and positive charge density (blue) Yellow arrow represents the σ hole. Scale unit: kcal/mol.
Figure 3
Figure 3
XPS spectra of TPI-3Se before and after uptake of I− (A) Se3d of TPI-3Se (B) Se3d of TPI-3Se–I, (C) I3d of TPI-3Se–I, (D) Se3d of TPI-3Se–MI, and (E) I3d of TPI-3Se–MI.
Figure 4
Figure 4
TEM micrographs and EDS element mapping (A) TPI-3Se, (B) TPI-3Se–MI, (C) EDX spectra of TPI-3Se, and (D) EDX spectra of TPI-3Se–MI.
Figure 5
Figure 5
PXRD spectra of the iodide complexes and the simulated pattern
See this image and copyright information in PMC

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