title: Probing the structural and electronic properties of Ag(n)H(-) (n = 1-3) using photoelectron imaging and theoretical calculations.
abstract: Structural and electronic properties of silver hydride cluster anions (Ag(n)H(-); n = 1-3) have been explored by combining the negative ion photoelectron imaging spectroscopy and theoretical calculations. The photoelectron spectrum of AgH(-) exhibits transitions from AgH(- 2)Σ(+) to AgH (1)Σ(+) and AgH (3)Σ(+), with the electron affinity (EA) 0.57(3) eV. For Ag(2)H(-), the only observed transition is from Ag(2)H(-) (C(∞v)) (1)Σ(+) to Ag(2)H (C(2v)) (2)A(') and the electron affinity is 2.56(5) eV. Two obvious electron bands are observed in photoelectron imaging of Ag(3)H(-), which are assigned to the transitions from Ag(3)H(-) (C(2v)-T, which means C(2v) geometry with top site hydrogen) (2)B(2) to Ag(3)H (C(2v)-T) (1)A(1) and Ag(3)H (C(2v)-T) (3)B(2). The electron affinity is determined to be 1.61(9) eV. The Ag-H stretching modes in the ground states of AgH and Ag(2)H are experimentally resolved and their frequencies are measured to be 1710(80) and 1650(100) cm(-1), respectively. Aside from the above EAs and the vibrational frequencies, the vertical detachment energies to all ground states and some excited states of Ag(n)H (n = 1-3) are also obtained. Theoretical calculations reproduce the experimental energies quite well, and the results are used to assign the geometries and electronic states for all related species.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
authors.forename: Hua
authors.initials: H
authors.lastname: Xie
authors.forename: Xiaopeng
authors.initials: X
authors.lastname: Xing
authors.forename: Zhiling
authors.initials: Z
authors.lastname: Liu
authors.forename: Ran
authors.initials: R
authors.lastname: Cong
authors.forename: Zhengbo
authors.initials: Z
authors.lastname: Qin
authors.forename: Xia
authors.initials: X
authors.lastname: Wu
authors.forename: Zichao
authors.initials: Z
authors.lastname: Tang
authors.forename: Hongjun
authors.initials: H
authors.lastname: Fan