结构化学最新文献

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A flexible-robust MOF for efficient purification of perfluoropropane 用于高效提纯全氟丙烷的灵活稳健的 MOF

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-09 DOI: 10.1016/j.cjsc.2024.100368

引用次数: 0

Structure design of lead-free chiral-polar perovskites for sensitive self-powered X-ray detection 用于灵敏自供电 X 射线探测的无铅手性极性包光体的结构设计

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100256

Xin Dong , Tianqi Chen , Jing Liang , Lei Wang , Huajie Wu , Zhijin Xu , Junhua Luo , Li-Na Li

Metal halide perovskites have made significant progress in X-ray detection owing to their exceptional optoelectronic properties. However, most of these materials suffer from toxic element lead and require for high operating voltages. Hence, it is imperative to explore environmentally friendly perovskite crystals without external bias for X-ray detection. Herein, we strategically introduce chiral cations to synthesize a pair of lead-free chiral-polar hybrid perovskites (S-MPz)₆Bi₃I₂₁·6H₂O and (R-MPz)₆Bi₃I₂₁·6H₂O (1S and 1R, S/R-MPz = S/R-2-methylpiperazinium), which exhibit strong circular dichroism (CD) signals with an anisotropic g-factor reaching approximately 0.017. Significantly, the chiral-polar feature gives rise to distinctive spontaneous polarization, which leads to a photovoltage of 1.1 V under X-ray illumination, endowing self-powered detection capabilities for X-ray. Further exploration of X-ray devices based on 1R single crystal (SC) demonstrates a high sensitivity of 5.2 μC Gy_air⁻¹ cm⁻² at zero bias. This study realizes passive X-ray detection depending on the intrinsic spontaneous polarization induced built-in electric field of chiral-polar perovskite, providing an effective approach to the chemical design of desired materials for high-performance “green” self-powered radiation detection.

金属卤化物过氧化物晶体因其卓越的光电特性，在 X 射线探测领域取得了重大进展。然而，这些材料大多含有有毒元素铅，并且需要很高的工作电压。因此，当务之急是探索用于 X 射线探测的无外部偏压的环境友好型过氧化物晶体。在这里，我们战略性地引入了手性阳离子，合成了一对无铅手性-极性混合包晶石 (-MPz)BiI-6HO 和 (-MPz)BiI-6HO （和 /MPz = /-2-甲基哌嗪），它们表现出强烈的圆二色性信号，各向异性-因子达到约 0.017。值得注意的是，手性极性特征产生了独特的自发极化，在 X 射线照射下可产生 1.1 V 的光电压，从而赋予了 X 射线自供电探测能力。对基于单晶体的 X 射线装置的进一步探索表明，在零偏压下，该装置具有 5.2 μC Gy cm 的高灵敏度。这项研究利用手性极性包晶的内在自发极化诱导内置电场实现了无源 X 射线探测，为高性能 "绿色 "自供电辐射探测所需材料的化学设计提供了有效方法。

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引用次数: 0

Boosting the self-trapped exciton emission in vacancy-ordered double perovskites via supramolecular assembly 通过超分子组装促进空位有序双包晶石中的自阱激子发射

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100306

Xingwen Cheng, Haoran Ren, Jiangshan Luo

引用次数: 0

Vibronic coupling effect on intersystem crossing rates of TADF emitters 振动耦合对 TADF 发射器系统间穿越率的影响

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100278

Xin Huang, Yi Zhao, Wanzhen Liang

引用次数: 0

Three types of promising functional building units for designing metal halide nonlinear optical crystals 用于设计金属卤化物非线性光学晶体的三种前景看好的功能构建单元

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100291

Jiajing Wu , Ru-Ling Tang , Sheng-Ping Guo

引用次数: 0

An efficient strategy enabling solution processable thermally activated delayed fluorescence emitter with high horizontal dipole orientation 实现高水平偶极定向的可溶液加工热激活延迟荧光发射器的高效策略

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100270

Zheng Zhao, Ben Zhong Tang

引用次数: 0

Layered (C5H6ON)2[Sb2O(C2O4)3] with a large birefringence derived from the uniform arrangement of π-conjugated units 层状 (C5H6ON)2[Sb2O(C2O4)3]，π 共轭单元的均匀排列产生了很大的双折射性

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100304

Dong-Xue Jiao , Hui-Li Zhang , Chao He , Si-Yu Chen , Ke Wang , Xiao-Han Zhang , Li Wei , Qi Wei

An organic-inorganic hybrid antimony(III) oxalate (C₅H₆ON)₂[Sb₂O(C₂O₄)₃] has been successfully obtained by simultaneous combination of π-conjugated 4-hydroxypyridine and (C₂O₄)²^– group with stereochemical active Sb(III) cation. The compound features a layered structure, and the equatorial planes of SbO₆ units, π-conjugated (C₂O₄)²^– and (C₅H₆ON)⁺ groups are closer to a planar arrangement, representing strong structural anisotropy that favors a large birefringence. As expected, (C₅H₆ON)₂[Sb₂O(C₂O₄)₃] exhibits a large birefringence of 0.279 at 546 nm. Structural and theoretical analyses indicate that the combination of multiple π-conjugated units is a feasible approach for designing and exploring new superior birefringent materials.

通过同时将-共轭 4-羟基吡啶和（CO）基团与立体化学活性 Sb（III）阳离子结合，成功获得了有机-无机杂化草酸锑（CHON）[SbO（CO）]。该化合物具有层状结构，SbO 单元的赤道平面、-共轭（CO）和（CHON）基团更接近平面布置，代表了强烈的结构各向异性，有利于产生较大的双折射。正如预期的那样，(CHON)[SbO(CO)] 在 546 纳米波长处表现出 0.279 的大双折射。结构和理论分析表明，多个共轭单元的组合是设计和探索新型优质双折射材料的可行方法。

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引用次数: 0

New zeolites with extra-stable extra-large-pore 具有超稳定超大孔隙的新型沸石

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100310

Qinming Wu , Xiangju Meng

引用次数: 0

Selective oxidation using in-situ generated hydrogen peroxide over titanosilicates 在钛硅酸盐上使用原位生成的过氧化氢进行选择性氧化

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100298

Zhipeng Wan , Hao Xu , Peng Wu

引用次数: 0

Structural phase transition in a new organic-inorganic hybrid post-perovskite: (N,N-dimethylpyrrolidinium)[Mn(N(CN)2)3] 一种新型有机-无机混合后超视晶石的结构相变：(N,N-二甲基吡咯烷鎓)[Mn(N(CN)2)3]

IF 2.2 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-06-01 DOI: 10.1016/j.cjsc.2024.100257

Le Ye, Wei-Xiong Zhang

In the realm of molecular phase transition research, particularly for applications in sensors, data storage and switching technologies, the role of organic-inorganic hybrid perovskite materials has been increasingly recognized for their significant potential. Nevertheless, hybrid post-perovskites, as a critical subclass of perovskites, have not been thoroughly studied and mainly limit in the instances based on polyatomic bridging agents like dicyanamide (dca⁻) and non-cyclic organic cations. Herein, a polar cyclic quaternary ammonium cation, N,N-dimethylpyrrolidinium (DMP⁺), was used to assemble a new hybrid post-perovskite, (DMP)[Mn(dca)₃] (1), which undergoes a phase transition from orthorhombic Bmmb to monoclinic P2₁/n space group at 249 K. By employing multiple techniques such as differential scanning calorimetry, variable-temperature single-crystal X-ray analysis, dielectric measurements, and Hirshfeld surface analysis, we disclosed the role of polar cyclic quaternary ammonium DMP⁺ in elevating the phase-transition temperature by 48 K, generating significant dielectric switching effect and facilitating interlayer sliding of inorganic framework.

在分子相变研究领域，尤其是传感器、数据存储和开关技术应用领域，有机-无机杂化过氧化物材料的巨大潜力日益得到认可。然而，混合后包晶石作为包晶石的一个重要子类，尚未得到深入研究，主要局限于基于多原子桥接剂（如双氰胺（dca）和非环有机阳离子）的实例。在此，我们使用极性环状季铵阳离子--二甲基吡咯烷鎓（DMP）来组装一种新的混合后过闪石--(DMP)[Mn(dca)]（），它在 249 K 时经历了从正方晶到单斜 2/空间群的相变。通过采用差示扫描量热法、变温单晶 X 射线分析、介电测量和 Hirshfeld 表面分析等多种技术，我们揭示了极性环状季铵 DMP 在将相变温度提高 48 K、产生显著的介电转换效应和促进无机框架层间滑动方面的作用。

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