Experimental Confirmation of a Predicted Porous Hydrogen-Bonded Organic Framework

Hydrogen-bonded organic frameworks (HOFs) with low densities and high porosities are rare and challenging to design because most molecules have a strong energetic preference for close packing. Crystal structure prediction (CSP) can rank the crystal packings available to an organic molecule based on their relative lattice energies. This has become a powerful tool for the a priori design of porous molecular crystals. Previously, we combined CSP with structure-property predictions to generate energy-structure-function (ESF) maps for a series of triptycene-based molecules with quinoxaline groups. From these ESF maps, triptycene trisquinoxalinedione (TH5) was predicted to form a previously unknown low-energy HOF (TH5-A) with a remarkably low density of 0.374 g cm⁻³ and three-dimensional (3D) pores. Here, we demonstrate the reliability of those ESF maps by discovering this TH5-A polymorph experimentally. This material has a high accessible surface area of 3,284 m² g⁻¹, as measured by nitrogen adsorption, making it one of the most porous HOFs reported to date.     

4-吡啶-NH-1,2,3-三唑构筑的两个Zn（Ⅱ）配合物的合成、结构和荧光性质

以4-吡啶-NH-1,2,3-三唑（L）为配体与ZnCl₂·H₂O分别在溶剂热和室温挥发条件下得到了配合物[Zn₂（L）₂Cl₄]（1）和[Zn（L）₂ Cl₂]·2H₂O（2）,并进行了红外、元素分析、单晶衍射、粉末衍射等表征。2个配合物中,超分子相互作用对于配合物的结构有很大影响。其中,配合物1由氢键和π-π相互作用形成3D堆积结构,配合物2通过氢键作用形成堆积结构。同时,在常温下研究了配体以及2个配合物的固体和液体荧光性质。     

Layer-by-layer assembly of porphyrin/layered double hydroxide ultrathin film and its electrocatalytic behavior for H2O2

The ordered ultrathin film based on iron(III) porphyrin and Co–Al layered double hydroxide (Co–Al LDH) nanosheets has been fabricated via the layer-by-layer (LBL) method. The film modified electrode demonstrates a couple of well-defined reversible redox peaks attributed to Co(III)/Co(II), with iron(III) porphyrin serving as an efficient mediator for facilitating the electron transfer. Furthermore, it exhibits excellent electrocatalytic behavior for H₂O₂ with a wide linear range of response, high sensitivity and low detection limit.     

高效石墨浮选剂的合成

高效石墨浮选剂的合成金婵，薛玉，汪进，刘欣荣，秦英海（哈尔滨工业大学应用化学系哈尔滨１５０００１）（大庆石化总公司大庆）关键词石墨，浮选剂，合成，混合烃由于石墨具有良好的力学性能、导电、高熔点等性质，广泛用于原子能、宇航和民用工业。隐晶质石墨属于微晶...     

La3+提高拟南芥耐旱能力研究

稀土元素有着广泛的生物学效应,稀土作为微肥在我国农业广泛使用.然而,稀土对植物抗旱性影响的研究很少.以模式植物拟南芥为材料,研究了不同浓度的镧(La3+)对植物根生长以及对植物耐旱能力的影响.结果表明,10和100 μmol ·L-1的La3能显著促进根生长,提高植物耐旱能力;1μmol·L-1La3+没有明显促进根生长,但显著提高了植物耐旱能力;1和10 mmol·L-1的La3+不能促进根生长,同时还降低了植物耐旱能力.该结果提示,稀土农用过程中要重视剂量的使用,同时避免带来生态环境问题.     

Understanding Synergistic Catalysis on Cu-Se Dual Atom Sites via Operando X-ray Absorption Spectroscopy in Oxygen Reduction Reaction

The construction and understanding of synergy in well-defined dual-atom active sites is an available avenue to promote multistep tandem catalytic reactions. Herein, we construct a dual-hetero-atom catalyst that comprises adjacent Cu-N₄ and Se-C₃ active sites for efficient oxygen reduction reaction (ORR) activity. Operando X-ray absorption spectroscopy coupled with theoretical calculations provide in-depth insights into this dual-atom synergy mechanism for ORR under realistic device operation conditions. The heteroatom Se modulator can efficiently polarize the charge distribution around symmetrical Cu-N₄ moieties, and serve as synergistic site to facilitate the second oxygen reduction step simultaneously, in which the key OOH*-(Cu₁-N₄) transforms to O*-(Se₁-C₂) intermediate on the dual-atom sites. Therefore, this designed catalyst achieves satisfied alkaline ORR activity with a half-wave potential of 0.905 V vs. RHE and a maximum power density of 206.5 mW cm⁻² in Zn-air battery.     

活性炭酸处理对CuO／C催化剂上NO还原反应的影响

４种国产活性炭被用于ＮＯ还原反应，其中，山楂核炭和山桃核炭具有较高的ＮＯ还原转化率。实验发现，表面含氧基团－ＣＯＯ－对活性炭自身的还原性和对ＮＯ的还原活性有很重要的影响。对表面富－ＣＯＯ－基团的活性炭，稀盐酸处理使表面－ＣＯＯ－显著分解。     

MoS2摩擦表面氧化与电子转移

利用电子自旋共振谱（ＥＳＲ）和Ｘ射线光电子谱（ＸＰＳ）研究了ＭｏＳ２摩擦表面的氧化行为和摩擦表面氧化的电子转移,发现Ｍｏ２在摩擦失效过程中Ｍｏ＾４＋与氧作用生成稳定的Ｍｏ＾６＋终态氧化物,其间经过Ｍｏ＾５＋过渡态。深入揭示了ＭｏＳ２摩擦表面氧化过程的复杂性,指出Ｍｏ在摩擦表面氧化过程中以多种化学状态存在,Ｍｏ原子的氧化是Ｍｏ４ｄ轨道上的单电子转移过程。     

稀土离子与苯并咪唑二羧酸和邻菲啰啉配合物:晶体结构、荧光及对有机小分子的荧光传感

合成了两种新的配合物{[Eu3(bidc)4(phen)2(NO3)]·2H2O}n(1)和[Tb2(bidc)3(H2O)2](2)(bidc=苯并咪唑二羧酸根,phen=1,10-邻菲啰啉)。配合物1是链状结构,含有三种不同的金属离子配位环境:Eu(1)O6N2,Eu(2)O8和Eu(3)O6N2。配合物2是二维网状结构,含有两种配位环境相似的金属离子:Tb(1)O8和Tb(2)O8。配合物1在581,593,615,654和702nm处出现发射峰,为Eu3+的5 D0→7 FJ(J=0-4)跃迁产生的特征荧光。最强发射峰位于615nm,对应于5 D0→7 F2跃迁,为红光。跃迁强度I(5 D0→7 F2)∶I(5 D0→7 F1)约为2.5,说明Eu3+不处于反演中心。配合物2在490,545,584和622nm出现发射峰,归属为中心Tb3+的5 D4→7 FJ(J=6-3)跃迁产生的特征荧光。在545nm的发射最强,对应于5 D4→7 F5跃迁,为绿光。探讨了不同溶剂对配合物1和2荧光的影响。实验结果表明硝基苯对配合物1和2具有显著的荧光猝灭作用,因此配合物1和2可用于环境污染物硝基苯的检测。     

准位相匹配铌酸锂波导倍频特性分析与优化设计

用标量有限元方法计算了周期性极化的铌酸锂光波导中模折射率和模场分布,并在计算中引入铌酸锂晶体折射率与温度变化的关系,分析了准位相匹配铌酸锂波导倍频效率与极化反转光栅周期、基频光波长、波导器件温度等关系.理论分析与实验结果符合得很好.在此基础上,分析了波导制作参数与倍频效率、光栅周期与晶体温度,以及温度带宽与光栅通光方向长度等关系,进而对铌酸锂波导倍频器件进行优化设计. 关键词： 铌酸锂 光波导 准位相匹配 有限元