Article

Double-Oxygen-Atom Transfer in Reactions of Ce(m) O(2m) (+) (m=2-6) with C(2) H(2).

Beijing National Laboratory for Molecular Science, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun North First Street 2, Beijing, 100190 (P. R. China), Fax: (+86) 10-625-59-373.
ChemPhysChem (impact factor: 3.41). 06/2011; 12(11):2110-7. DOI:10.1002/cphc.201100216 pp.2110-7
Source: PubMed

ABSTRACT Cerium oxide cluster cations (Ce(m) O(n) (+) , m=2-16; n=2m, 2m±1 and 2m±2) are prepared by laser ablation and reacted with acetylene (C(2) H(2) ) in a fast-flow reactor. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. Reactions of stoichiometric Ce(m) O(2m) (+) (m=2-6) with C(2) H(2) produce Ce(m) O(2m-2) (+) clusters, which indicates a "double-oxygen-atom transfer" reaction Ce(m) O(2m) (+) +C(2) H(2) →Ce(m) O(2m-2) (+) +(CHO)(2) (ethanedial). A single-oxygen-atom transfer reaction channel is also identified as Ce(m) O(2m) (+) +C(2) H(2) →Ce(m) O(2m-1) (+) +C(2) H(2) O (at least for m=2 and 3). Density functional theory calculations are performed to study reaction mechanisms of Ce(2) O(4) (+) +C(2) H(2) , and the calculated results confirm that both the single- and double-oxygen-atom transfer channels are thermodynamically and kinetically favourable.

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Keywords

calculated results
 
Cerium oxide cluster cations
 
cluster distribution
 
Density functional theory calculations
 
double-oxygen-atom transfer channels
 
reactions
 
single-oxygen-atom transfer reaction channel
 
study reaction mechanisms