以D-樟脑酸与1,4-二（咪唑-1-基）丁烷为配体构筑的两个配位聚合物的结构与磁性

水热合成了2个以D-樟脑酸(D-H2cam)与1,4-二(咪唑-1-基)丁烷(1,4-bimb)为配体的配位聚合物:[Co(D-cam)(1,4-bimb)]n·4nH2O(1)和[Ni(D-cam)(1,4-bimb)]n(2)。通过X-射线单晶衍射,元素分析,红外光谱,XRD分析,热重,和磁性分析对其结构进行了表征。测定了这两个聚合物的磁性。结构分析表明,1为P2空间群,其链状结构由氢键作用连接形成二维结构;2为Pna21空间群,呈四重穿插的dia网络结构。     

Urothermal Synthesis,Crystal Structure,and Luminescent Property of a New Zn(Ⅱ) Coordination Polymer Constructed from TerephthalicAcid and 5-Methyl-1H-tetrazole Ligands

A new luminescent Zn(II) compound, [Zn(pbdc)0.5(mtz)(DMPU)]n(1, H2pbdc = terephthalic acid, Hmtz = 5-methyl-1H-tetrazole, DMPU = N,N'-dimethylpropyleneurea), has been urothermally synthesized and characterized by elemental analysis, IR, X-ray powder diffraction(PXRD) and single-crystal X-ray diffraction. The title compound crystallizes in orthorhombic Pbca space group with a = 17.2649(5), b = 10.4680(3), c = 17.4457(7) ?, V = 3152.94(18) ?3, C12H17N6O3Zn, Mr = 358.71, Z = 8, Dc = 1.511 g/cm3, F(000) = 1480, μ = 1.579 mm-1, the final R = 0.0379 and wR = 0.0971 for 2785 observed reflections(I 2?(I)). Single-crystal X-ray structural analysis reveals that compound 1 features a 2D undulated layer with a 3-connected hcb topology. Moreover, the luminescent properties of 1 have also been investigated in the solid-state at room temperature.     

A 3-fold Interpenetrated lvt Cd(Ⅱ) Network Constructed from 4-[(3-pyridyl)methylamino]benzoate Acid

A new three-dimensional(3D) coordination polymer, [Cd(L)2H2O]n·5nH2O 1 with 4-[(3-pyridyl)methylamino]benzoate acid(HL), has been synthesized by slow evaporation solvent at room temperature, and structurally characterized by elemental analysis, IR spectrum, thermal analysis, fluorescence spectrum and single-crystal X-ray diffraction. Compound 1 crystallizes in the tetragonal system, space group I-4, with a = 20.7937(16), c = 13.515(2), V = 5843.5(11) 3, C26H34CdN4O10, Mr = 674.97, Dc = 1.534 g/cm3, μ(MoKα) = 0.808 mm-1, F(000) = 2768, Z = 8, the final R = 0.0276 and wR = 0.0691 for 5323 observed reflections(I 2σ(I)). The result of thermal analysis shows that 1 is stable under 290 ℃. Moreover, it exhibits blue photoluminescence at room temperature.     

Theoretical investigation on the structure and stability of some neutral noble gas compounds containing Xe-Xe bond

DFT calculations are performed to investigate the structure, stability, and nature of chemical bonding of some neutral noble gas insertion compounds containing a Xe-Xe bond; including HXeXeR, FXeXeR as well as RXeXeR (R = CN, NC, CCH, and BS). Geometry optimization of the considered molecules anticipate the existence of just four stable compounds (HXeXeCN, HXeXeNC, FXeXeCN, and FXeXeCCH); and rest of the molecules dissociate during the structural optimization. The results of NBO and AIM calculations show that a H(F)XeXeR molecule has a covalent H(F)-Xe bond in the H(F)XeXe⁺ fragment, which is bonded to R⁻ mainly through columbic interaction. Thermodynamic study indicates that all of the considered unimolecular dissociation channels for decomposition of H(F)XeXeR molecules to neutral fragments are both exothermic and exorergic; but dissociation to ionic species (H(F)XeXe⁺ and R⁻) is endothermic. Also kinetic study of the most probable dissociation reaction shows that FXeXeR molecules are metastable with respect to the global minimum F-R + 2Xe. Therefore, FXeXeCN molecule is more kinetically protected against the decomposition reaction than the other molecules and its experimental detection is more likely.     

De Novo Construction of Catenanes with Dissymmetric Cages by Space‐Discriminative Post‐Assembly Modification

Considerable efforts have been made to increase the topological complexity of mechanically interlocked molecules over the years. Three‐dimensional catenated structures composed of two or several (usually symmetrical) cages are one representative example. However, owing to the lack of an efficient universal synthetic strategy, interlocked structures made up of dissymmetric cages are relatively rare. Since the space volume of the inner cavity of an interlocked structure is smaller than that outside it, we developed a novel synthetic approach with the voluminous reductant NaBH(OAc)₃ that discriminates this space difference, and therefore selectively reduces the outer surface of a catenated dimer composed of two symmetric cages, thus yielding the corresponding catenane with dissymmetric cages. Insight into the template effect that facilitates the catenation of cages was provided by computational and experimental techniques.     

Macrocyclic Metal Complexes Bearing Rigid Polyaromatic Ligands: Synthesis and Catalytic Activity

We synthesised palladium and platinum complexes possessing cyclic and acyclic pincer‐type polyaromatic ligands and investigated their structural effect on the catalysis. The pincer‐type bis(6‐arylpyridin‐2‐yl)benzene skeleton was constructed via Kröhnke pyridine synthesis under transition metal‐free conditions on gram‐scale quantity. Ligand structure significantly influenced catalytic activity toward the platinum‐catalysed hydrosilylation of diphenyl acetylenes, despite the ligand‐independence of the conformations and electronic properties of these complexes.     

A novel three‐dimensional tetranuclear CoII coordination polymer with water hexamers based on the V‐shaped tetracarboxylate ligand 4‐(2,4‐dicarboxylatophenoxy)phthalate

A new coordination polymer (CP), namely, poly[[diaquatris[μ₂‐1,4‐bis(1H‐imidazol‐1‐yl)benzene]bis[μ₆‐4‐(2,4‐dicarboxylatophenoxy)phthalato]tetracobalt(II)] hexahydrate], {[Co₄(C₁₆H₆O₉)₂(C₁₂H₁₀N₄)₃(H₂O)₂]·6H₂O}_n, has been synthesized by solvothermal reaction. The CP was fully characterized by IR spectroscopy, elemental analysis, thermogravimetric analysis, and powder and single‐crystal X‐ray diffraction. It presents a three‐dimensional (3D) structure based on tetranuclear Co^II secondary building units (SBUs) with a tfz‐d net and point symbol (4³)₂(4⁶·6¹⁸·8⁴). The 4‐(2,4‐dicarboxyphenoxy)phthalic acid (H₄dcppa) ligands are completely deprotonated and link {Co₄(COO)₄}^4? SBUs into two‐dimensional (2D) layers. Furthermore, adjacent layers are connected by 1,4‐bis(1H‐imidazol‐1‐yl)benzene (bib) ligands, giving rise to a 3D supramolecular architecture. Interestingly, there are numerous elliptical cavities in the CP where isolated unique discrete hexameric water clusters have been observed. The results of thermogravimetric and magnetic analyses are described in detail.     

基于变密度法的平模台振加强筋布局优化

针对混凝土预制构件水平成型振动台(简称平模台振)振动效果改进的问题,提出了通过优化振动台面加强筋布局来提高其振动效果的方法.基于变密度拓扑优化法,建立以加强筋单元相对密度为设计变量,振动台面柔度最小为目标的优化模型,并进行灵敏度分析,采用最优准则法求解优化模型;根据拓扑优化结果,对振动台面加强筋进行布局优化,获得了合理...     

压印光刻中的两步对正技术

压印光刻中套刻需要粗、精两级对正.实验采用一对斜纹结构光栅作为对正标记.利用物镜组观察光栅标记图像的边界特征进行粗对正,其准确度在精对正信号的捕捉范围内;利用光电接收器件阵列组合接收光栅莫尔信号,在莫尔信号的线区进行精对正.由于线性区的斜率大, 精对正过程中得到相应x,y方向的对正误差信号灵敏度高,利用高灵敏度对正误差信号作为控制系统的驱动信号,对承片台进行驱动定位,实现精对正.最终使X,Y方向上的重复对正准确度分别达到了± 21 nm(± 3σ)和±24 nm(± 3σ).