Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water.
Vanadium oxide cluster cations V(x)O(y)(+) (x = 2-6) are prepared by laser ablation and are reacted with D(2)O in a fast flow reactor under room temperature conditions. A time-of-flight mass spectrometer is used to detect the cluster distribution before and after the reactions. Observation of the products (V(2)O(5))(1-3)D(+) indicates the deuterium atom abstraction reaction (V(2)O(5))(1-3)(+) + D(2)O → (V(2)O(5))(1-3)D(+) + OD. In addition, significant association products (V(2)O(5))(1-3)D(2)O(+) are also observed in the experiments. Density functional theory calculations are performed to study the reaction mechanisms of V(4)O(10)(+) with H(2)O. The calculated results are in agreement with the experimental observations and indicate that H(2)O is dissociatively rather than molecularly adsorbed in V(4)O(10)H(2)O(+) complex.
Beijing 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, P R China.
Jia-Bi
JB
Ma
Yan-Xia
YX
Zhao
Sheng-Gui
SG
He
Xun-Lei
XL
Ding