Effect of Vibrational Excitations of NO on Stereodynamics for Reaction C(3P)+NO(X2Π)→CO(X1Σ+)+N(2D)

doi:10.19596/j.cnki.1001-246x.8241

Abstract

Abstract: Stereodynamic properties of reaction C(³P)+NO(X²Π)→ CO(X¹Σ⁺) +N(²D) in different initial reagent vibrational states(v=0-3) are studied with quasiclassical trajectory method on potential energy surfaces(²A″ and ²A') at a collision energy of 0.23 eV. Angular distributions (P(θ_r),P(φ_r)) and PDDCSs (P₀₀(ω_t),P₂₀(ω_t)) in initial state are shown. It manifests that the vibrational excitation of NO has obvious influence on stereodynamic property of reaction occurring on ²A' PES, while it has weak effect on that occurring on ²A″ PES. It can be ascribed to character of potential energy surface.The reactions on two PESs are mainly governed by the ‘in-plane’ mechanism.

Key words: quasiclassical trajectory, vibrational excitation, stereodynamics

CLC Number:

O561.5

MA Jianjun, ZOU Yong. Effect of Vibrational Excitations of NO on Stereodynamics for Reaction C(³P)+NO(X²Π)→CO(X¹Σ⁺)+N(²D)[J]. Chinese Journal of Computational Physics, 2021, 38(2): 224-230.

References

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Effect of Vibrational Excitations of NO on Stereodynamics for Reaction C(³P)+NO(X²Π)→CO(X¹Σ⁺)+N(²D)

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