Experimental and Theoretical Study of Reactions between Manganese Oxide Cluster Cations and Hydrogen Sulfide (cited: 2)
- Received Date: 2013-10-16
- Cluster, Oxygen-for-sulfur exchange, Reaction mechanism, Mass spectrometry, Density functional theory
Abstract: Manganese oxide cluster cations Mnm18On+ were prepared by laser ablation and reacted with hydrogen sulfide (H2S) in a fast flow reactor under thermal collision conditions. A time-of-flight mass spectrometer was used to detect the cluster distributions before and after the interactions with H2S. The experiments suggest that oxygen-for-sulfur (O/S) ex-change reaction to release water took place in the reactor for most of the manganese oxide cluster cations: Mnm18On++H2S→Mnm18On-1S++H218O. Density functional theory cal-culations were performed for reaction mechanisms of Mn2O2+, Mn2O3+, and Mn2O4+. The computational results indicate these O/S exchange reactions are both thermodynamically and kinetically favorable, thus in good agreement with the experimental observations. The O/S exchange reactions identified in this gas-phase cluster study parallel similar behavior of related condensed phase reaction systems.
|Citation:||Mei-ye Jia, Sheng-gui He, Mao-fa Ge. Experimental and Theoretical Study of Reactions between Manganese Oxide Cluster Cations and Hydrogen Sulfide (cited: 2)[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 679-686. doi: 10.1063/1674-0068/26/06/679-686|