摘要
Nd:YAG产生的二倍频532 nm激光消融钛金属靶表面,产生钛金属蒸汽,同时含有3%乙炔的氦载气喷向旋转的金属靶,通过等离子体反应形成中性的气相金属-碳链团簇分子,经过266 nm的激光电离,在飞行时间质谱仪上获得了TiC^(+)_(x)(x=0-4)和Ti2C^(4)_(x)团簇的离子信号.实验发现:对于TiC^(+)_(x)离子,含偶数碳原子的团簇离子信号较强.为了更好的理解金属碳笼的形成机理,利用Gaussian 09程序对Ti2C^(4)_(x)团簇离子进行了结构优化,获得了其稳定构型.它的形成可以看作是分别由两个Ti-C键连接的两个环状的TiC2构成,也可以看作是由两个准线性的Ti-C-C键构成.
The second-harmonic output of a Nd: YAG laser was used to ablate the surface of rotating metal rod.Thereafter,the metal was vaporized,and through plasma reactions with 3 % acetylene which were carried in helium buffer gas,metal-carbon clusters were produced. After cluster species were ionized by the 266 nm laser,TiC^(+)_(x)(x = 0-4) and Ti2C^(4)_(x)ion peaks were obtained in the time-of-flight(TOF) mass spectrometer. The experiment found that the cluster ions with even carbon atoms have strong signal for TiC^(+)_(x)ions. In order to better understand the formation mechanism of the metal carbon cage,the structure of the cluster ions Ti2C^(4)_(x)was optimized by Gaussian 09 program,and its stable configuration was obtained. The stable structures correspond to a connection through two Ti-C sides generating two new Ti-C bonds. Nevertheless,the final result of the interaction can also be viewed as two side-bonded quasi-linear Ti-C-C units.
作者
周留柱
孟祥省
李晓明
ZHOU Liu-Zhu;MENG Xiang-Sheng;LI Xiao-Ming(School of Physics and Physical Engineering,Qufu Normal University,Qufu 273165,China)
出处
《原子与分子物理学报》
CAS
北大核心
2021年第1期77-79,共3页
Journal of Atomic and Molecular Physics
关键词
过渡金属-碳链团簇
飞行时间质谱仪
密度泛函理论
Transition metal-carbon clusters
TOF mass spectrometer
Density funotional thery(DFT)
