不同形貌普鲁士蓝纳米粒子的合成及光热性能

制备了立方体、直角立方体、球形、棒状、中空状、核壳状、梭形、多面体等8种不同形貌的普鲁士蓝纳米粒子,利用扫描电子显微镜、透射电子显微镜、紫外-可见分光光度计等对纳米粒子进行了表征,考察了普鲁士蓝纳米粒子光热性能的影响因素.结果表明,普鲁士蓝纳米粒子的形貌与光热性能之间联系密切,粒子形貌不同,光热性能不同;当外部实验条件一定时,纳米粒子的形貌、大小、吸收横截面积、尖锐化程度及密实程度等对其光热性能有很大的影响;当纳米粒子形貌一定时,外部因素如激光器的选择、激光功率密度及纳米粒子的浓度等直接影响普鲁士蓝纳米粒子的光热性能;在相同浓度下,激光功率密度越大,纳米粒子的升温效果越明显,光热性能越好;而激光功率密度不变时,纳米粒子浓度越大,其光热转换效率越高.国家自然科学基金(批准号:31271071,31371012,U1505228)资助~

金属固体样品的流动在线电解和样品中镁的火焰原子吸收及ICP-原子发射光谱测定

本文提供了金属固体样品的流动在线电解方法。电解得到的样品溶液可以直接送往原子光谱仪器进行检测。研究了电解条件对信号峰的影响,并对铝合金样品中的少量镁进行了在线电解—火焰原子吸收及ICP-原子发射光谱测定。方法快速简便,每个样品的分析工作可在数分钟内完成

理论与计算化学研究进展

化学是一门有坚实理论体系的基础学科,作为其中一个分支,理论与计算化学的飞速发展使得化学成为实验与理论并重的科学.结合价键理论方法、生物体系理论模拟和激发态光化学、固体表面与纳米结构体系、复杂体系分子量子动力学和密度泛函理论方法发展和核磁共振理论研究等,简要回顾了近期本研究团队和国内外本学科的发展情况,重点介绍了厦门大学在量子化学理论计算方法发展、计算程序研发、复杂体系的动力学以及酶催化反应的计算模拟等方面的研究

Structure and stability of binary transition-metal clusters (NbCo)(n) (n <= 5): A relativistic density-functional study

Equilibrium geometries and electronic properties of binary transition-metal clusters, (NbCo)(n) (n Nb-Co>Co-Co. As the binary cluster size increases, the Nb-Co bond may become stronger than the Nb-Nb bond in the inner niobium core, which results in a remarkable increment of the Nb-Nb bond length. Amongst these binary transition-metal clusters, the singlet (NbCo)(4) in T-d symmetry has a striking high stability due to the presence of the spherical aromaticity and electronic shell closure. The size dependence of the bond length and stability of the cluster has been explored. (C) 2005 American Institute of Physics

Stabilization of anti-aromatic and strained five-membered rings with a transition metal

1981年诺贝尔化学奖获得者、美国康奈尔大学RoaldHoffmann教授评价该项工作说：'The　paper is an excellent one--it's　quite a mazing that the parent Os　system,molecule 1,chooses to give the osmapentalyne'。德国化学家Uwe Rosenthal教授等在同期《自然—化学》杂志的《News and Views》栏目以《Breaking the rules》为题撰文评述了这一研究成果。全文地址：http://www.nature.com/nchem/journal/vaop/ncurrent/pdf/nchem.1702.pdfAnti-aromatic compounds, as well as small cyclic alkynes or carbynes, are particularly challenging synthetic goals. The combination of their destabilizing features hinders attempts to prepare molecules such as pentalyne, an 8π-electron anti-aromatic bicycle with extremely high ring strain. Here we describe the facile synthesis of osmapentalyne derivatives that are thermally viable, despite containing the smallest angles observed so far at a carbyne carbon. The compounds are characterized using X-ray crystallography, and their computed energies and magnetic properties reveal aromatic character. Hence, the incorporation of the osmium centre not only reduces the ring strain of the parent pentalyne, but also converts its Hückel anti-aromaticity into Craig-type Möbius aromaticity in the metallapentalynes. The concept of aromaticity is thus extended to five-membered rings containing a metal–carbon triple bond. Moreover, these metal–aromatic compounds exhibit unusual optical effects such as near-infrared photoluminescence with particularly large Stokes shifts, long lifetimes and aggregation enhancement