采用溶剂热合成方法，合成了一种新型金属配位聚合物{[Zn₂(L)(H₂O)(DMA)]·DMA·2.3H₂O}_n (1)，其中L^4-为完全脱去质子的N，N'-二(4-羧基苄基)-5-氨基间苯二甲酸，DMA为N，N-二甲基乙酰胺。单晶X射线衍射结果显示，该配合物属于三斜晶系，空间群为P1，a=0.989 6(5) nm，b=1.370 5(5) nm，c=1.382 1(5) nm，α=80.067(5)°，β=76.729(5)°，γ=76.611(5)°，结构是由二维金属有机层通过π…π相互作用而扩展成的三维超分子骨架。红外光谱验证了锌离子与L^4-配体成功配位。粉末X射线衍射(PXRD)实验证实了配合物1具有较高的纯度。热重分析结果显示配合物1在室温至416.9 ℃区间内具有较好的热稳定性。在273 nm的激发光下，配合物1在437 nm处有较强的荧光发射，可以在30 s内快速检测乙醇溶液中的炭疽生物标志物——吡啶-2，6-二甲酸，具有选择性高、抗干扰能力强、检测限低(约为15 μmol·L^-1)等特点。结合PXRD图和紫外可见吸收光谱揭示了其检测机理为晶体骨架坍塌而诱导的荧光猝灭。

介绍了X射线粉末衍射法解析晶体结构的三种常用方法：直接法、模拟退火法和电荷翻转法的基本原理和处理方法。直接法是典型的倒易空间法，利用倒易空间的衍射强度建立初始结构；模拟退火法则在实空间产生随机模型并进行全局优化获得初始模型；电荷翻转法为双空间迭代法，分别在倒空间和实空间进行微扰并在二者间进行傅里叶循环得到结构模型。文中以三个实例Ba₃BPO₇，MgSO₄·2.5H₂O以及MgSO₄∙2H₂O的结构解析分别进行简要说明。

设计、合成了一种基于巴比妥酸衍生物的具有D-π-A结构的光学探针3。该探针能够作为一种高度灵敏和选择性的次氯酸指示剂，快速实现对次氯酸的比色和荧光信号(开-关)的双响应(约15 s)。推测的响应机制是ClO^-与C=C之间发生了亲电加成和氧化裂解反应，导致探针的D-π-A结构遭到破坏，从而阻断了其分子内电荷转移(intramolecular charge transfer，ICT)进程。探针只需一步即可合成，同时具有红光发射(628 nm)和较大的斯托克斯位移(158 nm)，检测限(limit of detection，LOD)低至14 nmol·L^-1。此外，探针还表现出低细胞毒性，并成功应用于活细胞成像。

A novel extremely effective fluorescent zinc organic framework probe [Zn₆(L)₃(2, 2'-bpy)₄]·2H₂O}_n (Zn - MOF) for Cu²⁺ was prepared by a hydro - solvothermal method, where H₄L=1, 4 - bis(3, 5 - dicarboxyphenoxy) benzene and 2, 2' -bpy=2, 2'-bipyridine. Its synthesis, structure, thermal stability, and fluorescence sensing properties are described in this paper. Zn -MOF is capable of identifying Cu²⁺ and shows good stability according to the fluorescence quenching method. The fluorescence intensity of the Zn-MOF has demonstrated an essential linear connection with the Cu²⁺ concentration in a concentration range of 0- 1.2 µmol·L^-1, with a low limit of detection (LOD) of 67.1 nmol·L^-1. More crucially, the obtained results indicating that Zn-MOF selectively recognizes Cu²⁺ through weak interactions are corroborated by a systematic analysis of X - ray photoelectron spectroscopy, inductively coupled plasma- mass spectrometry, powder X- ray diffraction, and infrared spectra. Furthermore, this Zn-MOF demonstrates strong regeneration capability in five consecutive cycles.

A photothermal agent (ECEI) with high photothermal conversion efficiency (85.78%) was synthesized based on coumarin fluorescent groups. In addition, the experimental results of hot and cold cycling show that ECEI has good photostability. Despite damage to the mitochondrial membrane potential, ECEI can effectively target mitochondria and induce cancer cell death under laser irradiation. This allows ECEI to maximize mitochondrial damage and thus inhibit tumor cell reproduction. Notable, after irradiating mouse tumors once, the mouse tumors gradually disappeared within 10 d. This indicates that ECEI has an excellent tumor inhibition effect.

本文提出了一种简便的绘制路易斯结构式方法。该方法首先构建一个符合外层原子价态的初步结构，并将分子的电荷（如存在）放置于中心原子。接下来，若中心原子的电子数未满八个，将通过转换成键电子和外层原子上的孤对电子来达到八隅体结构，此过程将自动产生形式电荷，无需额外计算。此方法不同于传统需先计算价电子总数的做法，更侧重于利用化合价来构建路易斯结构式，从而减少计算错误的可能性。

分别采用反溶剂沉淀法和溶剂热法制备了两种不同形貌的Cu₂(Salen)₂纳米材料，通过红外光谱(IR)、X射线粉末衍射(XRD)和扫描电子显微镜(SEM)等手段对其进行了结构和形貌表征，并利用Olex2软件对该配合物的分子结构和配位情况进行了展示。本实验内容涉及有机合成、配位化学、纳米材料制备与表征、晶体结构分析软件应用等，将基础理论知识与现代科技手段有机统一，兼顾基础的同时，注重创新能力和综合素质的培养。本实验将前沿科研成果转化到实验教学实践中，使二者相互促进，形成良性循环。

A coordination polymer {[Cd(H₂dpa)(bpy)]·3H₂O}_n (Cd-CP) was designed and hydrothermal synthesized based on 4-(2, 4-dicarboxyphenoxy) phthalic acid (H₄dpa), 2, 2′-bipyridine (bpy) and Cd(NO₃)₂·4H₂O. The structure was characterized by single-crystal X-ray diffraction, powder X-ray diffraction, elemental analysis, and infrared spectroscopy. Cd-CP belongs to the monoclinic crystal system with the P2₁/c space group and performs in a 1D double-chain structure. The adjacent double chains further form a 3D supramolecular network structure through hydrogen bonding. Thermogravimetric analysis shows that Cd-CP has good thermal stability. Fluorescence analysis showed that Cd-CP had good choosing selectively and was sensitive to metal ions (Fe³⁺ and Zn²⁺), 2, 4, 6-trinitrophenylhydrazine (TRI), and pyrimethanil (Pth). Interestingly, when Cd-CP was used for fluorescence detection of metal ions, it was found to have a fluorescence quenching effect on Fe³⁺ but had an obvious enhancement effect on Zn²⁺. Therefore, we designed an "on-off-on" logic gate. In addition, the mechanism of fluorescence sensing has been deeply explored.

In this study, a self-calibrating near-infrared fluorescence probe was designed and synthesized based on the dual-fluorophore strategy utilizing methylene blue and coumarin. The probe utilized methylene blue (emission spectrum range: 640-740 nm) and coumarin fluorophore (emission spectrum range: 440-600 nm) as signal output units, thereby achieving effective spectral separation and highly selective detection of HClO. Under physiological pH conditions, HClO triggers an oxidation-cleavage reaction, releasing methylene blue and coumarin, which emit distinct red and green fluorescence, respectively. This dualemission feature enabled rapid HClO detection with two-channel detection limits of 25.13 nmol·L^-1 (green channel) and 31.55 nmol·L^-1 (red channel). Furthermore, in cell imaging experiments, this probe demonstrated excellent cell membrane permeability and low cytotoxicity, successfully enabling the monitoring of both endogenous and exogenous HClO in living cells. By incorporating a two-channel self-calibration system, the probe effectively mitigated signal variations caused by instrumental or environmental interference, substantially improving detection sensitivity and reliability.

A new metal-organic framework (MOF) {[Cd(L)_0.5(4, 4'-bpy)_0.5]·H₂O}_n (1), where H₄L=(1, 1': 4', 1″-terphenyl)-2, 2″, 4, 4″-tetracarboxylic acid, 4, 4'-bpy=4, 4'-bipyridine, was synthesized by hydro-solvothermal method. The structure of complex 1 was characterized by single-crystal X-ray diffraction, elemental analysis, powder X-ray diffraction, thermogravimetric analysis, and infrared spectrum analysis. The analysis of single crystal structure shows that 1 is a 3D structure, belonging to the monoclinic crystal system, C2/c space group. Cd(Ⅱ) connects L^4- and 4, 4'-bpy to form a 2D plane structure, and the layers are connected by L^4- to form a 3D network structure. The MOF shows good stability and can be used for the detection of tetracycline (TET) and p-nitrophenol (4-NP) by fluorescence quenching. The detection limits of TET and 4-NP were 0.15 and 0.062 μmol·L^-1, respectively. In addition, the fluorescence quenching mechanism of 1 was also studied. 1 can be successfully applied to the determination of TET and 4-NP content in Yanhe water samples.