Host–Guest Symmetry Matching in Two Crystalline Magnesium Sulfate Oxalates Obtained Via a Solvent-Free Route,Inorganic Chemistry

当前位置： X-MOL 学术 › Inorg. Chem. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Host–Guest Symmetry Matching in Two Crystalline Magnesium Sulfate Oxalates Obtained Via a Solvent-Free Route
Inorganic Chemistry ( IF 4.3 ) Pub Date : 2023-04-07 , DOI: 10.1021/acs.inorgchem.3c00412
Xuemei Wen , Ying Long , Daibing Luo , Ling Huang ₁ , Hongmei Zeng , Xin Wang , Guohong Zou , Zhien Lin

Affiliation

The combination of π-conjugated oxalate anion with sulfate group has been explored in the solvent-free synthesis of two new magnesium sulfate oxalates. One of them has a layered structure crystallized in the noncentrosymmetric space group Ia, while the other has a chainlike structure crystallized in the centrosymmetric space group P2₁/c. The noncentrosymmetric solid has a wide optical bandgap and exhibits a moderate second-harmonic-generation response. Density functional theory calculations were carried out to disclose the origin of its second-order nonlinear-optical response.

中文翻译：

通过无溶剂途径获得的两种结晶草酸镁的主客体对称匹配

在两种新型草酸硫酸镁的无溶剂合成中探索了π-共轭草酸根阴离子与硫酸根的结合。其中一个具有层状结构，在非中心对称空间群Ia中结晶，而另一个具有链状结构，在中心对称空间群P 2 ₁ / c中结晶。非中心对称固体具有较宽的光学带隙并表现出适度的二次谐波生成响应。进行密度泛函理论计算以揭示其二阶非线性光学响应的起源。

更新日期：2023-04-07

点击分享查看原文

点击收藏

阅读更多本刊新发论文本刊介绍/投稿指南