【摘 要】
：
Transition metal (TM)-doped silicon clusters are of particular interest because the TM dopants can not only stabilize the silicon clusters,but also introduce novel physical/chemical properties such as
【机 构】
：
Key Laboratory of Materials Modification by Laser,Ion and Electron Beams,Dalian University of Techno
论文部分内容阅读
Transition metal (TM)-doped silicon clusters are of particular interest because the TM dopants can not only stabilize the silicon clusters,but also introduce novel physical/chemical properties such as large HOMO–LUMO gaps,high magnetic moments,and tunable hyperpolarizability.
其他文献
We report a spin-flip time-dependent density functional theory (SF-DFT) study on the working mechanism for a light-driven fluorene rotary motor.
负离子光电子能谱技术在研究分子和团簇结构方面具有广泛应用.电喷雾电离(ESI)结合离子阱技术作为负离子光电子能谱的离子源,搭建了溶液与气相研究的桥梁.近年来发展的慢电子速度成像技术极大的提高了负离子光电子能谱分辨率(＜ 4 cm-1),特别是和低温离子阱技术相结合,使得冷离子光电子成像技术可以获取分子振动精细结构.
我们用光电子能谱和理论计算研究了MgCl2(H2O)0-6-团簇,得到了团簇的结构,盐分子结构随着水分子个数的变化,团簇内部相互作用以及电荷分布等信息.1-6 个水分子与MgCl2 作用,逐渐延长了Mg-Cl 的键长,4 个水分子可以断开MgCl2 负离子中的1 个Mg-Cl 键,6 个水分子可以断开MgCl2 负离子的2 个Mg-Cl 键;对于中性MgCl2,6个水分子可以断开1 个Mg-Cl键
Organofluorine chemistry has been widely studied for decades because of the changes of the parameters in the medicine or materials caused by introducing fluorine.
We employed the photoionization and mass-analyzed threshold ionization (MATI) techniques to record the cation spectra of (η6-benzene)(η6-biphenyl)chromium (Fig.1).
We applied the two-color resonant two-photon mass-analyzed threshold ionization (MATI) technique to record the cation spectra of trans-2-fluorostyrene by ionizing via six intermediate vibronic levels.
相比于小尺寸团簇,大尺寸团簇的成键方式、电子结构等性质更加接近于实际反应体系,从而更为可信地模拟复杂的表面反应.我们曾报道了纳米尺度的氧化钒团簇阳离子可以活化甲烷,观察到的最大活性团簇是V22O55+.
利用激光溅射技术产生一系列的钽氧化物与二氧化碳分子的络合物阳离子团簇,[TaOx·(CO2)n]+(x=0～3,n=2～6),并采用串级飞行时间质谱仪[1]进行探测和分析.以一氧化物为例,经质量选择后的团簇离子在一定波长的红外激光作用下解离,在解离质谱中表现为母离子信号的减弱及碎片离子的生成(如图1 所示),其红外光解离光谱即为碎片离子的量子产率随激光波长的变化(如图2 所示).
The interaction between iron and carbon in iron-carbide clusters,which are widespread in the natural world,is worthy of deep investigation.
Among various potential molecular candidates,fullerenes form a promising family of compounds owing to its unique cage structure and fanciful electronic structures.