title: Photoelectron Velocity Map Imaging Spectroscopy of Lead Tetracarbonyl-Iron Anion PbFe(CO)4(.).
abstract: Joint research of photoelectron velocity map imaging spectroscopy and density functional theory has been performed to probe the geometrical structures and electronic properties for heterodinuclear iron-lead carbonyl cluster PbFe(CO)4(-), which serves as a monomer of the metal-metal bonded oligomer. The photoelectron detachment of PbFe(CO)4(-) is recorded at two different photon energies with rich spectral features. The ground-state transition obtained at 532 nm reveals a broad vibrationally resolved spectral band, which corresponds to the lead-iron stretching, while the 355 nm spectrum displays many more transitions on the higher-energy side, which correspond to the electronic excited states of PbFe(CO)4. Theoretical calculations at the B3LYP level are performed to explore the ground states of both the anionic and neutral PbFe(CO)4 and to support spectral identification of the fine resolved photoelectron spectra. Moreover, the unique chemical bonding between lead and iron in PbFe(CO)4 is discussed with the aid of natural bond orbital analyses.
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, P. R. China.|School of Chemistry & Material Science, Shanxi Normal University , Linfen 041004, P. R. China.
authors.forename: Zhiling
authors.initials: Z
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, P. R. China.
authors.forename: Jinghan
authors.initials: J
authors.lastname: Zou
authors.affiliation: Department of Physics, Anhui Normal University , Wuhu, Anhui 241000, P. R. China.
authors.forename: Zhengbo
authors.initials: Z
authors.lastname: Qin
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, P. R. China.
authors.forename: Hua
authors.initials: H
authors.lastname: Xie
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, P. R. China.
authors.forename: Hongjun
authors.initials: H
authors.lastname: Fan
authors.affiliation: State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, P. R. China.|Collaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory for Physical Chemistry of Solid Surfaces, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University , Xiamen 361005, P. R. China.
authors.forename: Zichao
authors.initials: Z
authors.lastname: Tang