Citation: Han Xing LIU. THE GEOMETRY AND ORBITAL INTERACTION OF TRIATOMIC CLUSTERS FOR Cu,Ag,Au(Ⅱ)[J]. Chinese Chemical Letters, ;1994, 5(8): 703-706. shu

THE GEOMETRY AND ORBITAL INTERACTION OF TRIATOMIC CLUSTERS FOR Cu,Ag,Au(Ⅱ)

Han Xing LIU

Advanced Materials Research Institute, Wuhan University of Technology, Wuhan, 430070

Received Date: 7 April 1994

In the previous paper,the geometry of the triatomic clusters for Cu,Ag,and Au was obtained using the DV-Xα method.In this investigation the atomic orbital interactions of atom Cu,Ag,Au in the triatomic clusters are analyzed.The magnitudes of the atomic orbital interactions of the atoms in the clusters are measured by the splitting of corresponding atomic orbital.The calculation results show the atomic orbital interactions of Cu triatomic cluster differ greatly from those of Ag and Au triatomic cluster because of the mixture radio of 4s-orbital with 3d-orbital in the Cu cluster more than those in the Ag and Au cluster.The values of atomic orbital interactions of Au in the cluster are larger than corresponding atomic orbital interactions of Ag in the cluster.
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