Regulation of Refractive Index by Halogens in Two-DimensionalLayered Methylsulfonate Halides

Herein, a series of unprecedented alkaline earth metal methylsulfonate halides, M(SO<sub>3</sub>CH<sub>3</sub>)X·<i>n</i>H<sub>2</sub>O (M = Sr, Ba; X = Cl, Br, I; <i>n</i> = 2, 4), and Ba<sub>2</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>3</sub>I·4H<sub>2</sub>O were synthesized. They all feature two-dimensional (2D) layered structures with halogen elements inserted between the 2D layers constructed by metal ions and [SO<sub>3</sub>CH<sub>3</sub>] groups, which are suitable for exploring the influence of halogens on their refractive index. The refractive indexes both parallel and (almost) perpendicular to the 2D layers were calculated through theoretical calculations. We found that the nonpolar halogens exhibited different enhancement in the two directions. The result may guide regulating the birefringence properties of such 2D crystal materials. Besides, the ultraviolet (UV) cutoff edge of Sr(SO<sub>3</sub>CH<sub>3</sub>)Cl·4H<sub>2</sub>O and Ba(SO<sub>3</sub>CH<sub>3</sub>)Cl·4H<sub>2</sub>O can reach 183 and 184 nm, respectively, indicating their potential application in the deep-UV region.

Publication Details

Journal
Figshare
Published
2025-03-06
DOI
https://doi.org/10.1021/acs.inorgchem.5c00476.s001
Primary Topic
Crystal Structures and Properties
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article
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article

Regulation of Refractive Index by Halogens in Two-DimensionalLayered Methylsulfonate Halides

Figshare
Crystal Structures and Properties
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Regulation of Refractive Index by Halogens in Two-DimensionalLayered Methylsulfonate Halides

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Abstract

Herein, a series of unprecedented alkaline earth metal methylsulfonate halides, M(SO<sub>3</sub>CH<sub>3</sub>)X·<i>n</i>H<sub>2</sub>O (M = Sr, Ba; X = Cl, Br, I; <i>n</i> = 2, 4), and Ba<sub>2</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>3</sub>I·4H<sub>2</sub>O were synthesized. They all feature two-dimensional (2D) layered structures with halogen elements inserted between the 2D layers constructed by metal ions and [SO<sub>3</sub>CH<sub>3</sub>] groups, which are suitable for exploring the influence of halogens on their refractive index. The refractive indexes both parallel and (almost) perpendicular to the 2D layers were calculated through theoretical calculations. We found that the nonpolar halogens exhibited different enhancement in the two directions. The result may guide regulating the birefringence properties of such 2D crystal materials. Besides, the ultraviolet (UV) cutoff edge of Sr(SO<sub>3</sub>CH<sub>3</sub>)Cl·4H<sub>2</sub>O and Ba(SO<sub>3</sub>CH<sub>3</sub>)Cl·4H<sub>2</sub>O can reach 183 and 184 nm, respectively, indicating their potential application in the deep-UV region.

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Crystal Structures and Properties
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Regulation of Refractive Index by Halogens in Two-DimensionalLayered Methylsulfonate Halides · Figshare (2025) | TGRS Research Map | TGRS