Anion Photoelectron Spectroscopy and Quantum Chemical Calculations of Bimetallic Oxide Clusters YCu2On-/0 (n=2-5)

The structural and electronic properties of bimetallic oxide clusters, YCu(2)O(n)(- )and YCu2On (n = 2-5), are investigated using anion photoelectron spectroscopy and density functional theory calculations. The experimental vertical detachment energies of YCu2O2-, YCu2O3-, YCu2O4-, and YCu2O5- were measured to be 1.59, 1.76, 3.85, and 3.78 eV, respectively. Vibrationally resolved photoelectron spectra have been obtained for YCu2O2-, with a spacing of 726 +/- 80 cm(-1) assigned to the Y-O stretching vibrational mode. It is found that YCu2O2- and YCu2O2 have C-2v symmetric planar five-membered ring structures. YCu2O3- and YCu(2)O(3 )have C-2v symmetric planar six-membered ring structures. The most stable structure of YCu(2)O(4)(- )is a quasiplanar structure which can be viewed as one O atom interacting with the Y atom of the YCu2O3 six-membered ring, while the most stable structure of YCu2O4 is a planar seven-membered ring. YCu2O5- and YCu2O5 have nonplanar structures, which can be viewed as an O(2 )unit interacting with the Y atom of the YCu(2)O(3 )six-membered ring. In YCu2O3,4,5 (-/0), the Y-O and Cu-O bonds are dominant, while the Y-Cu and Cu-Cu interactions are weak.

Automated summary

The structural and electronic properties of bimetallic oxide clusters YCu(2)O(n) are investigated using anion photoelectron spectroscopy and density functional theory calculations. The results show that these clusters have different structures and the Y-O and Cu-O bonds dominate.