Jump to main content
Jump to site search


Interaction of FeO- with water: Anion photoelectron spectroscopy and theoretical calculations

Abstract

The interactions of FeO- with water molecules were studied by using photoelectron spectroscopy and density functional theoretical calculations. It is found that 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(H2O)n-1-/0, in which the (n-1)H2O molecules interact with the Fe(OH)2 core. For Fe(OH)2-/0 and Fe(OH)2(H2O)-, the Fe(OH)2 unit has two conformers with the two OH groups oriented differently. The vertical detachment energies (VDEs) of FeO2H2(H2O)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 the experiment. It is also worth mentioning that in FeO2H2(H2O)- 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 FeO2H2(H2O), the water molecule interacts with the Fe atom of the Fe(OH)2 core via its O atom.

Back to tab navigation

Supplementary files

Publication details

The article was received on 09 Jun 2017, accepted on 14 Jul 2017 and first published on 14 Jul 2017


Article type: Paper
DOI: 10.1039/C7CP03870D
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
  •   Request permissions

    Interaction of FeO- with water: Anion photoelectron spectroscopy and theoretical calculations

    L. Zhao, X. Xu, H. Xu, G. Feng and W. Zheng, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP03870D

Search articles by author

Spotlight

Advertisements