Interaction of FeO− with water: anion photoelectron spectroscopy and theoretical calculations. Issue 31 (27th July 2017)

• Record Type: Journal Article
• Authors: Zhao, Li-Juan; Xu, Xi-Ling; Xu, Hong-Guang; Feng, Gang; Zheng, Wei-Jun
• Is Part Of: Physical chemistry chemical physics. Volume 19:Issue 31(2017)
• Page Start: 21112
• Page End: 21118
• Publication Date: 2017-07-27
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c7cp03870d
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : The species formed via the interactions between FeO −/0 and n water molecules can be viewed as Fe(OH)2 (H2 O) n −1 −/0, in which ( n − 1)H2 O molecules interact with a Fe(OH)2 core. Abstract : The interactions of FeO − with water molecules were studied by using photoelectron spectroscopy and density functional theoretical calculations. It is found that a dihydroxyl species, Fe(OH)2 −/0, can be formed when FeO −/0 interacts with the first water molecule. The complexes formed via the interactions between FeO −/0 and n water molecules can be viewed as Fe(OH)2 (H2 O) n −1 −/0, in which ( n − 1)H2 O molecules interact with a Fe(OH)2 core. For Fe(OH)2 −/0 and Fe(OH)2 (H2 O) −, the Fe(OH)2 unit has two conformers with the two OH groups oriented differently. The vertical detachment energies (VDEs) of FeO2 H2 (H2 O) n −1 − ( n = 1–4) are measured to be 1.25 ± 0.04, 1.66 ± 0.04, 2.06 ± 0.04, and 2.37 ± 0.04 eV, respectively, by experiment. It is also worth mentioning that in the FeO2 H2 (H2 O) − anion the water molecule interacts with the Fe(OH)2 core by forming a hydrogen bond with one of the OH groups, while in neutral FeO2 H2 (H2 O), the water molecule interacts with the Fe atom of the Fe(OH)2 core via its O atom.