Citation: Lin Feng LI, Xian Zhang GU, Mu Zhen LIAO, Guo Shi WU. A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS[J]. Chinese Chemical Letters, ;1991, 2(3): 253-254. shu

A QUANTUM CHEMISTRY STUDY ON THE SIZE-DEPENDENCE OF THE CHEMISORPTION OF AMMONIA AND CARBON MONOXIDE ON ALUMINUM CLUSTERS

Department of Chemistry, Tainghua University, Beijing 100084

Received Date: 21 October 1990

Fund Project: The authors acknowledge the support of the Scientific Foundation of Tsingbua University.

The chemisorption intensities of NH₃ and CO on aluminum clusters Al_n (n=l-13) have been theoretically predicted by using CNDO/2 method and properly selecting the clusters'geometries. The results show that the chemisorptions of NH₃ and GO on Al₂, Al₆ and Al₁₂ are magically stable and thus are in good agreement with the experimental results. In addition, an electronic structure analysis is made to expound the nature of such a size effect.
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