铬族元素的Cr₂、Mo₂、W₂基团具有相对稳定性，科学家对此做了实验验证和理论计算，试图找出原因。本文梳理了相关研究脉络及最新进展，从“它们的成键方式如何？”以及“可以怎样被进一步稳定？”两个问题出发，对铬族元素中的双原子基团六重键作用进行了分析、归纳和讨论。作者认为，Cr₂、Mo₂、W₂基团的不稳定性来源于两原子间密集电子的斥力；因此，各种稳定该基团的方法本质上都是从减小电子密度、解决电子斥力入手。

利用碳空位缺陷有序化策略构筑了多层六方孔洞MXene电极材料，在软包超级电容器中实现了高比容量和高能量密度水系钾离子存储。该电极材料具有较大比表面积的三维六方孔洞结构，为储钾提供了更多的活性位点。结合六方孔洞内壁新暴露的钛原子的化合价变化引起的赝电容效应，阐明了多层六方孔洞MXene水系钾离子超级电容器比容量提高的内在原因。通过密度泛函理论计算多层六方孔洞MXene对钾离子的吸附能，并结合电化学储钾性能实验及动力学分析，确定了钾离子被吸附的最佳位置，得出了钾离子的吸附规律。通过定量分析多层六方孔洞MXene中电子的能带结构和差分电荷密度等电子传输规律，揭示了其水系钾离子超级电容器具有高电导率和良好倍率性能的内在机理。

Six new lanthanide complexes: [Ln(3,4-DEOBA)₃(4,4′-DM-2,2′-bipy)]₂·2C₂H₅OH, [Ln=Dy (1), Eu (2), Tb (3), Sm (4), Ho (5), Gd (6); 3,4-DEOBA^-=3,4-diethoxybenzoate, 4,4′-DM-2,2′-bipy=4,4′-dimethyl-2,2′-bipyridine] were successfully synthesized by the volatilization of the solution at room temperature. The crystal structures of six complexes were determined by single-crystal X-ray diffraction technology. The results showed that the complexes all have a binuclear structure, and the structures contain free ethanol molecules. Moreover, the coordination number of the central metal of each structural unit is eight. Adjacent structural units interact with each other through hydrogen bonds and further expand to form 1D chain-like and 2D planar structures. After conducting a systematic study on the luminescence properties of complexes 1-4, their emission and excitation spectra were obtained. Experimental results indicated that the fluorescence lifetimes of complexes 2 and 3 were 0.807 and 0.845 ms, respectively. The emission spectral data of complexes 1-4 were imported into the CIE chromaticity coordinate system, and their corresponding luminescent regions cover the yellow light, red light, green light, and orange-red light bands, respectively. Within the temperature range of 299.15-1 300 K, the thermal decomposition processes of the six complexes were comprehensively analyzed by using TG-DSC/FTIR/MS technology. The hypothesis of the gradual loss of ligand groups during the decomposition process was verified by detecting the escaped gas, 3D infrared spectroscopy, and ion fragment information detected by mass spectrometry. The specific decomposition path is as follows: firstly, free ethanol molecules and neutral ligands are removed, and finally, acidic ligands are released; the final product is the corresponding metal oxide.

为了探究配体对铈氧簇的形成、结构和性质的影响及铈氧簇的潜在应用，使用糠酸(HFA)作为配体，通过溶液法合成了首例由糠酸根稳定的六核铈氧簇，并利用单晶X射线衍射、粉末X射线衍射、X射线光电子能谱、元素分析、热重和光谱等技术表征了其晶体NH₄[Ce₆O₄(OH)₄(FA)₁₂(NO₃)(H₂O)]·5CH₃CN·12H₂O (1)的结构、组分和光谱性质。结果发现Ce(Ⅳ)离子即使在酸性条件下也具有较强的水解能力，其自身的水解缩合反应及与HFA的配位反应共同促使了化合物1的形成。通过芬顿反应产生羟基自由基(·OH)并采用甲基紫作为指示剂，进一步研究了化合物1清除自由基的能力。结果表明，其能有效地清除·OH，且清除效率随化合物1溶液体积的增加而提升。

有机-无机卤化物钙钛矿太阳能电池(PSCs)因其优异的光伏性能(PCE)和简单的制备工艺而受到广泛关注。然而，界面处的电荷复合是制约PSCs光电转换效率进一步提高的关键因素。本文基于旋涂镀膜法利用室温合成的六氯锡酸铵(AH)晶体对钙钛矿薄膜(PSK)和电子传输层之间的界面进行修饰。AH是一种无机锡基钙钛矿材料，可以钝化PSK中的缺陷，建立更好的晶格匹配，从而提高PSK的质量和结晶度。开尔文探针力显微镜结果证实，AH促进了光生电子的定向迁移。飞秒瞬态吸收光谱结果说明AH有效缩短了电子抽取寿命，促进了界面电子转移。基于AH改性的优点，AH修饰的PSCs具有更高的PCE和更小的迟滞效应。

To extend a new family of aminophosphine-coordinated [FeFe]-hydrogenase mimics for catalytic hydrogen (H₂) evolution, we carried out the ligand substitutions of diiron hexacarbonyl precursors [Fe₂(μ-X₂pdt)(CO)₆] (X₂pdt=(SCH₂)₂CX₂, X=Me, H) with aminodiphosphines (Ph₂PCH₂)₂NY(Y=(CH₂)₂OH, (CH₂)₃OH) to obtain two new diiron aminophosphine complexes [Fe₂(L1)(μ-Me₂pdt)(CO)₅] (1) and [Fe₂(L2)(μ-H₂pdt)(CO)₅] (2), where L1=3-[(diphenylphosphaneyl)methyl]oxazolidine, L2=3-[(diphenylphosphaneyl)methyl]-1, 3-oxazinane. Moreover, the structures of 1 and 2 have been fully confirmed by elemental analysis, spectroscopic techniques, and single-crystal X-ray diffraction. Using cyclic voltammetry (CV), we investigated the electrochemical redox performance and proton reduction activities of 1 and 2 in acetic acid (HOAc). The CV study indicates that diiron aminophosphine complexes 1 and 2 can be considered to be hydrogenase-inspired diiron molecular electrocatalysts for the reduction of protons into H₂ generation in the presence of HOAc.

5, 5′-dithiobis(2-nitrobenzoic acid) (H₂DTNB) was employed as the second ligand to react with cucurbit[6]uril (Q[6]) and Cd(NO₃)₂, and it was deprotonated or transformed into HDTNB^-, TNB^2- and NSB^2- (H₂TNB=5, 5′-thiobis(2-nitrobenzoic acid), H₂NSB=2-nitro-5-sulfobenzoic acid) under different conditions to afford three novel supramolecular assemblies with the formulas of [Cd(H₂O)₄(Q[6])](HDTNB)₂·3H₂O (1), [Cd(H₂O)₆]₂(TNB)₂·Q[6]·4H₂O (2) and [Cd(H₂O)₅(NSB)]₂·Q[6] (3). Singe-crystal diffraction (SC-XRD) analysis revealed that assembly 1 is constructed from 2D [Cd(H₂O)₄(Q[6])]²⁺ supramolecular layers and HDTNB^- supra molecular layers, the structure of assembly 2 is comprised of the 2D {[Cd(H₂O)₆]₂·Q[6]}⁴⁺ supramolecular layers and 1D TNB^2- supramolecular chains, while assembly 3 is built from the 3D Q[6] frameworks with [Cd(H₂O)₅(NSB)] supramolecular chains filled in the pores. Meanwhile, the noncovalent interactions between the ligands HDTNB^-/TNB^2-/NSB^2- and the outer-surface of Q[6] molecules contributed greatly to the formation of the supramolecular architecture of assemblies 1-3.