Abstract
The growth pattern and electronic properties of TiGen− (n=7–12) clusters were investigated using anion photoelectron spectroscopy and density functional theory calculations. For both anionic and neutral TiGen 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 Gen cage at n=9–11. TiGe12− cluster has a distorted hexagonal prism cage structure. According to the natural population analysis, the electron transfers from the Gen framework to the Ti atom for TiGen−/0 clusters at n=8–12, implying that the electron transfer pattern is related to the structural evolution.
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