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.
J Phys Chem A. 2012 Mar 8;116(9):2049-54. doi: 10.1021/jp300279u. Epub 2012 Feb 22.
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.
钒氧化物团簇阳离子 V(x)O(y)(+)（x = 2-6）通过激光烧蚀制备，并在室温条件下在快速流动反应器中与 D(2)O 反应。飞行时间质谱仪用于检测反应前后的团簇分布。对产物（V(2)O(5))(1-3)D(+)的观察表明发生了氘原子抽取反应（V(2)O(5))(1-3)(+) + D(2)O → (V(2)O(5))(1-3)D(+) + OD。此外，实验中还观察到了大量的缔合产物（V(2)O(5))(1-3)D(2)O(+)。还进行了密度泛函理论计算以研究 V(4)O(10)(+)与 H(2)O 的反应机理。计算结果与实验观察结果一致，表明 H(2)O 在 V(4)O(10)H(2)O(+) 络合物中是解离吸附而不是分子吸附的。
