Collision-induced dissociation of transition metal-oxide ions: Dynamics of VO+ collision with Xe

Title
Collision-induced dissociation of transition metal-oxide ions: Dynamics of VO+ collision with Xe
Authors
Ree, J.; Kim, Y.H.; Shin, H.K.
Keywords
GAS-PHASE, CATALYSTS, OXIDATION
Issue Date
2006-02
Publisher
AMER INST PHYSICS
Abstract
The collision-induced dissociation of VO+ by Xe has been studied by the use of classical dynamics procedures on London-Eyring-Polanyi-Sato potential-energy surfaces in the collision energy range of 5.0-30 eV. The dissociation threshold behavior and the dependence of reaction cross sections on the collision energy closely follow the observed data with the threshold energy of 6.00 eV. The principal reaction pathway is VO++Xe -> V++O+Xe and the minor pathway is VO++Xe -> VXe++O. At higher collision energies (E > 8.0 eV), the former reaction preferentially occurs near the O-V(+...)Xecollinear and perpendicular alignments, but the latter only occurs near the perpendicular alignment. At lower energies close to the threshold, the reactions are found to occur near the collinear configuration. No reaction occurs in the collinear alignment V+-(OXe)-Xe-.... The high and low energy-transfer efficiencies of the collinear alignments O-V+...Xe and V+-(OXe)-Xe-... are attributed to the effects of mass distribution. The activation of the VO+ bond toward the dissociation threshold occurs through a translation-to-vibration energy transfer in a strong collision on a time scale of about 50 fs.
URI
http://dspace.inha.ac.kr/handle/10505/1796
ISSN
0021-9606
Appears in Collections:
College of Natural Science(자연과학대학) > Chemistry (화학) > Journal Papers, Reports(화학 논문, 보고서)
Files in This Item:
Collision.pdfDownload

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse