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Probing Cluster-π Interactions between Cu- and C2H2/C2H4 for Gas Separation
Baoqi Yin1,2, Lijun Geng1, Hanyu Zhang1
1Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences. Beijing 100190, P.R. China.
Abstract:
Copper-related materials are used for separation of ethylene and acetylene gases in chemistry; however, the precise mechanism regarding selectivity is elusive to be fully understood. Here, we have conducted a joint experimental and theoretical study of the Cu- (n = 7-30) clusters in reacting with C2H4 and C2H2. It is found that all of the Cu- clusters readily react with C2H2, giving rise to C2H2-addition products; however, Cu18- and Cu19- do not react with C2H4. We illustrate the superatomic stability of Cu18- and advocate its availability to separate C2H4 from C2H2. Further, we demonstrate the atomically precise mechanism regarding selectivity by fully unveiling the size-dependent cluster-π interactions.
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