Title of article :
Photoelectron spectroscopy and density functional study of ConOH− (n = 1–3)
Author/Authors :
Li، نويسنده , , Ren-Zhong and Xu، نويسنده , , Hong-Guang and Xu، نويسنده , , Xi-Ling and Zheng، نويسنده , , Wei-Jun، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Abstract :
We investigated ConOH− (n = 1–3) clusters with photoelectron spectroscopy and density functional theory calculations. The vertical detachment energies of ConOH− (n = 1–3) were measured to be 1.41 ± 0.04, 1.22 ± 0.08, 1.62 ± 0.08 eV, respectively. The electron affinity and term energy of CoOH neutral were determined to be 1.33 ± 0.04 and 0.25 ± 0.04 eV, respectively. The most probable geometries of CoOH− and Co2OH− were determined to be L-shaped structures, and that of Co3OH− can be considered as one of the Co atoms of Co3 triangle bonded to the oxygen atom of OH group. The excess electron of the ConOH− anion is mainly localized on the Con site.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters