%0 Journal Article
%T Photoelectron Spectroscopy and Density Functional Calculations of TiGe_{n}^{-} (*n*=7-12) Clusters
%A Xiao jiao Deng
%A Xiang yu Kong
%A Xi ling Xu
%A Hong guang Xu
%A Wei jun Zheng
%J Chinese Journal Of Chemical Physics
%@ 1003-7713
%V 29
%N 1
%D 2016
%P 123-128
%K Photoelectron spectroscopy;Density functional theory;Germanium clusters
%X The growth pattern and electronic properties of TiGe_{n}^{-} (*n*=7-12) clusters were investigated using anion photoelectron spectroscopy and density functional theory calculations. For both anionic and neutral TiGe_{n} clusters, a half-encapsulated boat-shaped structure appears at *n*=8, and the boat-shaped structure is gradually covered by the additional Ge atoms to form Ge_{n} cage at *n*=9-11. TiGe_{12}^{-} cluster has a distorted hexagonal prism cage structure. According to the natural population analysis, the electron transfers from the Ge_{n} framework to the Ti atom for TiGe_{n}^{-/0} clusters at *n*=8-12, implying that the electron transfer pattern is related to the structural evolution.
%R 10.1063/1674-0068/29/cjcp1511232
%U http://cjcp.ustc.edu.cn/hxwlxb_en/ch/reader/view_abstract.aspx
%1 JIS Version 3.0.0