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(C(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-12-22 , DOI: 10.1021/acs.inorgchem.3c03551
Juhui Cui 1, 2 , Shibin Wang 1, 2 , Abudukadi Tudi 1, 2 , Minqiang Gai 1, 2 , Zhihua Yang 1, 2 , Shilie Pan 1, 2
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-12-22 , DOI: 10.1021/acs.inorgchem.3c03551
Juhui Cui 1, 2 , Shibin Wang 1, 2 , Abudukadi Tudi 1, 2 , Minqiang Gai 1, 2 , Zhihua Yang 1, 2 , Shilie Pan 1, 2
Affiliation
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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(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2 and one guanidine iodate C(NH2)3IO3 were successfully synthesized using the hydrothermal method. An unprecedented dimer [I2O5F] formed by [IO3F] and [IO3] in (C(NH2)3)2(I2O5F)(IO3)(H2O) was found, which greatly enriches the structural diversity of fluorooxoiodates. All three compounds feature a relatively large birefringence (Δn = 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.
中文翻译:
(C(NH2)3)2(I2O5F)(IO3)(H2O) 和 C(NH2)3IO2F2:具有宽带隙和大双折射的两种氟代碘酸胍
通过阴离子和阳离子基团的有效协同排列增强各向异性对于改善材料的双折射光学性能至关重要。在这项工作中,通过氟化策略将I-O转化为I-F,两种不含金属的氟代碘酸胍(C(NH 2 ) 3 ) 2 (I 2 O 5 F)(IO 3 )(H 2 O)和采用水热法成功合成了C(NH 2 ) 3 IO 2 F 2和一种碘酸胍C(NH 2 ) 3 IO 3 。发现[IO 3 F]和[IO 3 ]在(C(NH 2 ) 3 ) 2 (I 2 O 5 F)(IO 3 )(H 2 O)中形成前所未有的二聚体[I 2 O 5 F] ,极大地丰富了氟代碘酸盐的结构多样性。所有三种化合物均具有相对较大的双折射(546 nm 处的 Δ n = 0.068、0.110 和 0.075)和较短的紫外线截止边缘。进行理论计算是为了了解电子结构和线性光学性质。
更新日期:2023-12-22
中文翻译:
![](https://scdn.x-mol.com/jcss/images/paperTranslation.png)
(C(NH2)3)2(I2O5F)(IO3)(H2O) 和 C(NH2)3IO2F2:具有宽带隙和大双折射的两种氟代碘酸胍
通过阴离子和阳离子基团的有效协同排列增强各向异性对于改善材料的双折射光学性能至关重要。在这项工作中,通过氟化策略将I-O转化为I-F,两种不含金属的氟代碘酸胍(C(NH 2 ) 3 ) 2 (I 2 O 5 F)(IO 3 )(H 2 O)和采用水热法成功合成了C(NH 2 ) 3 IO 2 F 2和一种碘酸胍C(NH 2 ) 3 IO 3 。发现[IO 3 F]和[IO 3 ]在(C(NH 2 ) 3 ) 2 (I 2 O 5 F)(IO 3 )(H 2 O)中形成前所未有的二聚体[I 2 O 5 F] ,极大地丰富了氟代碘酸盐的结构多样性。所有三种化合物均具有相对较大的双折射(546 nm 处的 Δ n = 0.068、0.110 和 0.075)和较短的紫外线截止边缘。进行理论计算是为了了解电子结构和线性光学性质。