Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water

Jia Bi Ma; Yan Xia Zhao; Sheng Gui He; Xun Lei Ding

doi:10.1021/jp300279u

Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water

Jia Bi Ma, Yan Xia Zhao, Sheng Gui He^*, Xun Lei Ding

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

38 Citations (Scopus)

Abstract

Vanadium oxide cluster cations V _xO _y ⁺ (x = 2-6) are prepared by laser ablation and are reacted with D ₂O 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 ₂O ₅) _1-3D ⁺ indicates the deuterium atom abstraction reaction (V ₂O ₅) _1-3 ⁺ + D ₂O → (V ₂O ₅) _1-3D ⁺ + OD. In addition, significant association products (V ₂O ₅) _1-3D ₂O ⁺ are also observed in the experiments. Density functional theory calculations are performed to study the reaction mechanisms of V ₄O ₁₀ ⁺ with H ₂O. The calculated results are in agreement with the experimental observations and indicate that H ₂O is dissociatively rather than molecularly adsorbed in V ₄O ₁₀H ₂O ⁺ complex.

Original language	English
Pages (from-to)	2049-2054
Number of pages	6
Journal	Journal of Physical Chemistry A
Volume	116
Issue number	9
DOIs	https://doi.org/10.1021/jp300279u
Publication status	Published - 8 Mar 2012
Externally published	Yes

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@article{5055260db07b4a7c93209c7ca207cb0f,

title = "Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water",

abstract = "Vanadium oxide cluster cations V xO y + (x = 2-6) are prepared by laser ablation and are reacted with D 2O 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 2O 5) 1-3D + indicates the deuterium atom abstraction reaction (V 2O 5) 1-3 + + D 2O → (V 2O 5) 1-3D + + OD. In addition, significant association products (V 2O 5) 1-3D 2O + are also observed in the experiments. Density functional theory calculations are performed to study the reaction mechanisms of V 4O 10 + with H 2O. The calculated results are in agreement with the experimental observations and indicate that H 2O is dissociatively rather than molecularly adsorbed in V 4O 10H 2O + complex.",

author = "Ma, {Jia Bi} and Zhao, {Yan Xia} and He, {Sheng Gui} and Ding, {Xun Lei}",

year = "2012",

month = mar,

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doi = "10.1021/jp300279u",

language = "English",

volume = "116",

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journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

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TY - JOUR

T1 - Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water

AU - Ma, Jia Bi

AU - Zhao, Yan Xia

AU - He, Sheng Gui

AU - Ding, Xun Lei

PY - 2012/3/8

Y1 - 2012/3/8

N2 - Vanadium oxide cluster cations V xO y + (x = 2-6) are prepared by laser ablation and are reacted with D 2O 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 2O 5) 1-3D + indicates the deuterium atom abstraction reaction (V 2O 5) 1-3 + + D 2O → (V 2O 5) 1-3D + + OD. In addition, significant association products (V 2O 5) 1-3D 2O + are also observed in the experiments. Density functional theory calculations are performed to study the reaction mechanisms of V 4O 10 + with H 2O. The calculated results are in agreement with the experimental observations and indicate that H 2O is dissociatively rather than molecularly adsorbed in V 4O 10H 2O + complex.

AB - Vanadium oxide cluster cations V xO y + (x = 2-6) are prepared by laser ablation and are reacted with D 2O 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 2O 5) 1-3D + indicates the deuterium atom abstraction reaction (V 2O 5) 1-3 + + D 2O → (V 2O 5) 1-3D + + OD. In addition, significant association products (V 2O 5) 1-3D 2O + are also observed in the experiments. Density functional theory calculations are performed to study the reaction mechanisms of V 4O 10 + with H 2O. The calculated results are in agreement with the experimental observations and indicate that H 2O is dissociatively rather than molecularly adsorbed in V 4O 10H 2O + complex.

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U2 - 10.1021/jp300279u

DO - 10.1021/jp300279u

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SP - 2049

EP - 2054

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 9

ER -

Experimental and theoretical study of the reactions between vanadium oxide cluster cations and water

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