title: Structure of Au4(0/-1) in the gas phase: A joint geometry relaxed ab initio calculations and vibrationally resolved photoelectron imaging investigation.
abstract: We have combined photoelectron velocity-map imaging spectroscopy and high-level ab initio calculations to elucidate the geometries of Au4 (0/-1). Well-resolved ground-state electronic transition was observed in the photoelectron spectrum of Au4 (-) at 446 nm, leading to more accurate electron affinity and vibrational frequencies for the ground state of the neutral Au4 (-). The pure and vibrationally resolved spectra provide definitive experimental evidence for the resolution of the ground-state gold tetramer in the gaseous phase, with the aid of the ab initio calculations and Franck-Condon simulations. The comprehensive comparisons between the experiment and theoretical calculations suggest that the Y-shaped structure is the global minimum for both the neutral and anionic Au4.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Zhiling
authors.initials: Z
authors.lastname: Liu
authors.forename: Zhengbo
authors.initials: Z
authors.lastname: Qin
authors.forename: Hua
authors.initials: H
authors.lastname: Xie
authors.forename: Ran
authors.initials: R
authors.lastname: Cong
authors.forename: Xia
authors.initials: X
authors.lastname: Wu
authors.forename: Zichao
authors.initials: Z
authors.lastname: Tang