Diamond软件在形教学中的应用
吴平伟
【大学化学】doi: 10.3866/PKU.DXHX202311043
介绍了用Diamond软件构造47种晶体单形模型的方法及其在教学中的应用。
关键词: 单形, 晶体学, Diamond软件
Field-induced Co single-ion magnet with pentagonal bipyramidal configuration
Shuyan ZHAO
【无机化学学报】doi: 10.11862/CJIC.20240231
A mononuclear Co complex, [Co(H2dapsc)(H2O)Cl]Cl·2H2O (1), with a pentagonal bipyramidal configuration was obtained by reflux reaction of CoCl2·6H2O and 2, 6-diacetylpyridine-bis(semicarbazone) (H2dapsc) in a mixed solvent of water and ethanol. The neutral ligand H2dapsc molecule provides five coordination atoms to form the equatorial plane of 1, while a water molecule and a Cl- ion occupy their axial positions. At the same time, the solid structure contains a valence counteranion Cl- ion and two lattice water molecules. The study of DC magnetic susceptibility indicates that complex 1 has strong magnetic anisotropy. The AC magnetic properties show the existence of slow magnetic relaxation behavior, which is dominated by both direct and Raman processes. The energy barrier for magnetization reversal was 55.55 K. Based on theoretical calculations, it can be concluded that the main reason for the slow magnetic relaxation behavior is the rhombic anisotropy of the pentagonal bipyramidal structure. The calculated D and E values were 45.68 and-0.32 cm-1.
关键词: Co complex, pentagonal bipyramid, crystal structure, magnetic property
电化学调控在分子结电子传输性质研究中的应用进展
王靖文, 吴明昊, 左鑫, 袁耀锋, 王亚浩, 周小顺, 鄢剑锋
【大学化学】doi: 10.12461/PKU.DXHX202406023
单分子电子学作为纳米技术的重要分支,致力于研究单个分子的电学特性,为发展超小型、低功耗电子器件提供理论基础与技术支撑。精确调控单分子结的电子传输性质,是该领域面临的核心技术挑战。电化学调控,凭借其卓越的调控性和可逆性,正成为单分子电子学中一个极具潜力的研究方向。本文综述了近十年电化学调控在单分子电子学中的应用进展,涵盖了电输运能级、分子价态、电极与分子间键合方式以及离子液体双电层栅极的调控策略。通过分析具体案例,旨在帮助学生了解单分子电子学的研究前沿,理解其在现代纳米电子学中的重要性。
关键词: 电化学调控, 单分子电子学, 能级, 分子价态, 键合方式
原子铂纳米酶的简便构建及其类过氧化物酶活性
郭春梅, 尹维翰, 石静怡, 赵建航, 陈莹, 范曲立
【无机化学学报】doi: 10.11862/CJIC.20240162
采用浸渍吸附法,以多孔碳纳米笼(CNC)作为载体,简便构建了单原子铂/CNC (SA-Pt/CNC)纳米酶。通过透射电子显微镜(TEM)、高分辨透射电子显微镜(HRTEM)和X射线光电子能谱(XPS)深入解析了SA-Pt/CNC的微观结构。酶活性测试表明,SA-Pt/CNC表现出优异的类过氧化物酶活性,能高效催化过氧化氢氧化各种底物分子。
关键词: 单原子铂纳米酶, 类过氧化物酶, 生物传感
基于限阈空间制备Mn原子催化剂及其电催化析氧性能
王洋, 郑晓芹, 刘洋, 张凯, 寇佳慧, 孙林兵
【无机化学学报】doi: 10.11862/CJIC.20240165
采用一种简单的策略,以未去除模板剂的原粉介孔二氧化硅KIT-6(TOK)为载体,利用模板剂和二氧化硅壁之间的限阈空间来制备单原子催化剂(SACs)。通过固相研磨将含Mn前驱体引入TOK的固有限阈空间后,Mn SACs可在热处理过程中迅速生成。密度泛函理论计算和实验数据表明,Mn原子被载体上的Si—OH基团所锚定,并以Mn—O—Si的形式存在。将得到的Mn SACs应用于电催化析氧反应,实验结果显示,与在没有限阈空间载体中合成的对比样品相比,Mn SACs表现出更出色的催化性能。
关键词: 单原子催化剂, 限阈空间, 介孔二氧化硅, 析氧反应
A rhombic Dy4-based complex showing remarkable single-molecule magnet behavior
Yinling HOU, Jia JI, Hong YU, Xiaoyun BIAN, Xiaofen GUAN, Jing QIU, Shuyi REN, Ming FANG
【无机化学学报】doi: 10.11862/CJIC.20240251
A tetranuclear Ln(Ⅲ)-based complex: [Dy4(dbm)4(L)6(μ3-OH)2]·CH3CN (1) (HL=5-[(4-methylbenzylidene)amino]quinolin-8-ol, Hdbm=dibenzoylmethane) was manufactured and its structure was characterized in detail. X-ray diffraction analysis shows that complex 1 belongs to the monoclinic crystal system and its space group is P21/n, which contains a rhombic Dy4 core. Magnetic measurements of 1 suggest it possesses extraordinary single-molecule magnet (SMM) behavior. Its energy barrier Ueff/kB was 116.7 K, and the pre-exponential coefficient τ0=1.05×10-8 s.
关键词: tetranuclear Dy(Ⅲ) complex, Schiff base ligand, crystal structure, magnetic property, single-molecule magnet
Synthesis, structure, and magnetic property of a cobalt(Ⅱ) complex based on pyridyl-substituted imino nitroxide radical
Xiaoling WANG, Hongwu ZHANG, Daofu LIU
【无机化学学报】doi: 10.11862/CJIC.20240214
A new cobalt(Ⅱ)-radical complex: [Co(im4-py)2(PNB)2] (im4-py=2-(4'-pyridyl)-4,4,5,5-tetramethylimidazole-1-oxyl, HPNB=p-nitrobenzoic acid) has been synthesized and characterized by X-ray diffraction analysis, elemental analysis, IR, and magnetic properties. X-ray diffraction analysis shows that the complex exists as mononuclear molecules and Co(Ⅱ)ion is four-coordinated with two radicals and two PNB- ligands. The magnetic susceptibility study indicates the complex exhibits weak ferromagnetic interactions between cobalt(Ⅱ) and im4-py radical. The magnetic property is explained by the magnetic and structure exchange mechanism.
关键词: Co(Ⅱ) complex, imino nitroxide radical, crystal structure, magnetic property

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