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(C(NH<sub>2</sub>)<sub>3</sub>)<sub>2</sub>(I<sub>2</sub>O<sub>5</sub>F)(IO<sub>3</sub>)(H<sub>2</sub>O) and C(NH<sub>2</sub>)<sub>3</sub>IO<sub>2</sub>F<sub>2</sub>: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence

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posted on 2023-12-22, 11:15 authored by Juhui Cui, Shibin Wang, Abudukadi Tudi, Minqiang Gai, Zhihua Yang, Shilie Pan
Enhancing anisotropy through an effective synergistic arrangement of anionic and cationic groups is crucial for improving the birefringence optical properties of materials. In this work, by transforming I–O into I–F through the fluorination strategy, two metal-free guanidine fluorooxoiodates (C­(NH<sub>2</sub>)<sub>3</sub>)<sub>2</sub>(I<sub>2</sub>O<sub>5</sub>F)­(IO<sub>3</sub>)­(H<sub>2</sub>O) and C­(NH<sub>2</sub>)<sub>3</sub>IO<sub>2</sub>F<sub>2</sub> and one guanidine iodate C­(NH<sub>2</sub>)<sub>3</sub>IO<sub>3</sub> were successfully synthesized using the hydrothermal method. An unprecedented dimer [I<sub>2</sub>O<sub>5</sub>F] formed by [IO<sub>3</sub>F] and [IO<sub>3</sub>] in (C­(NH<sub>2</sub>)<sub>3</sub>)<sub>2</sub>(I<sub>2</sub>O<sub>5</sub>F)­(IO<sub>3</sub>)­(H<sub>2</sub>O) was found, which greatly enriches the structural diversity of fluorooxoiodates. All three compounds feature a relatively large birefringence (Δ<i>n</i> = 0.068, 0.110 and 0.075 at 546 nm) and a short ultraviolet cutoff edge. The theoretical calculation was carried out to understand the electronic structures and linear optical properties.

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    DOI - Is supplement to (C(NH<sub>2</sub>)<sub>3</sub>)<sub>2</sub>(I<sub>2</sub>O<sub>5</sub>F)(IO<sub>3</sub>)(H<sub>2</sub>O) and C(NH<sub>2</sub>)<sub>3</sub>IO<sub>2</sub>F<sub>2</sub>: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence

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    Inorganic Chemistry

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    wide band gapthree compounds featuresuccessfully synthesized usingrelatively large birefringencelinear optical propertieseffective synergistic arrangementbirefringence optical properties5 </ sub3 </ sub2 </ subfree guanidine fluorooxoiodatesf )­( iof )( ioc ­( nhn </unprecedented dimertwo metaltheoretical calculationstructural diversityhydrothermal methodgreatly enrichesfluorination strategyelectronic structurescationic groups546 nm

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