Anion Photoelectron Spectroscopy and Quantum Chemical Calculations of LaCu2On-/0(n=4,5):Interaction between Oxygen Unit and LaCu2O3 Six-Membered Ring
We conducted a joint anion photoelectron spectroscopy and theoretical investigation on hybrid lanthanum-copper oxides clusters,LaCu2On-/0(n=4,5).The experimental vertical de-tachment energies of LaCu2O4-and LaCu2O5-are deter-mined to be 3.70 and 3.79 eV,respectively.Theoretical calcu-lations show that the most stable structures of LaCu2O4,5-are mainly composed of LaCu2O3 six-membered ring,with an ad-ditional O atom or O2 unit interacting with the La atom.In LaCu2O4-,covalent interaction is presented between the ex-ternal O atom and the LaCu2O3 six-membered ring.As for LaCu2O5-anion,a weak interaction dominated by inductive force is presented between the external O2 unit and the LaCu2O3 six-membered ring.
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