New findings regarding the NO angular momentum orientation in Ar-NO(2Π1/2) collisions

This article reports a theoretical study of the stereodynamics of Ar + NO( X 2 Π, v = 0, j = 1/2, Ω = 1/2, = ±1) rotationally inelastic collisions. First, quantum scattering data are used to calculate all differential polarisation moments of the reagent and product molecules; this leads to the obser...

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Published inPhysical chemistry chemical physics : PCCP Vol. 14; no. 28; pp. 9826 - 9837
Main Authors Jambrina, Pablo G, K os, Jacek, Aoiz, F. Javier, de Miranda, Marcelo P
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 28.07.2012
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Abstract This article reports a theoretical study of the stereodynamics of Ar + NO( X 2 Π, v = 0, j = 1/2, Ω = 1/2, = ±1) rotationally inelastic collisions. First, quantum scattering data are used to calculate all differential polarisation moments of the reagent and product molecules; this leads to the observation that the orientations of the reagent and product angular momenta are very strongly correlated. Next, canonical collision mechanisms theory [Aldegunde et al. , Phys. Chem. Chem. Phys. , 2008, 10 , 1139] is used to separate and characterise the stereodynamics of the two independent collision mechanisms that contribute to the collision dynamics; this leads to the observation that the average product orientation is determined by the relative contributions of the two canonical mechanisms, which have comparable importance but are associated with starkly contrasting angular momentum orientations. These observations lead to a new and rigorous explanation of the experimental results reported a decade ago by Lorenz et al. [ Science , 2001, 293 , 2063]. The central fact of the new explanation is the incoherent, interference-free superposition of two independent collision mechanisms. This makes the new explanation radically different from the only one previously suggested, namely that the experimental observations might be due to quantum interference in a single collision mechanism. Incoherent, interference-free superposition of two independent collision mechanisms accounts for NO angular momentum orientation in inelastic Ar + NO collisions.
AbstractList This article reports a theoretical study of the stereodynamics of Ar + NO(X(2)Π, v = 0, j = 1/2, Ω = 1/2, ε = ±1) rotationally inelastic collisions. First, quantum scattering data are used to calculate all differential polarisation moments of the reagent and product molecules; this leads to the observation that the orientations of the reagent and product angular momenta are very strongly correlated. Next, canonical collision mechanisms theory [Aldegunde et al., Phys. Chem. Chem. Phys., 2008, 10, 1139] is used to separate and characterise the stereodynamics of the two independent collision mechanisms that contribute to the collision dynamics; this leads to the observation that the average product orientation is determined by the relative contributions of the two canonical mechanisms, which have comparable importance but are associated with starkly contrasting angular momentum orientations. These observations lead to a new and rigorous explanation of the experimental results reported a decade ago by Lorenz et al. [Science, 2001, 293, 2063]. The central fact of the new explanation is the incoherent, interference-free superposition of two independent collision mechanisms. This makes the new explanation radically different from the only one previously suggested, namely that the experimental observations might be due to quantum interference in a single collision mechanism.
This article reports a theoretical study of the stereodynamics of Ar + NO( X 2 Π, v = 0, j = 1/2, Ω = 1/2, = ±1) rotationally inelastic collisions. First, quantum scattering data are used to calculate all differential polarisation moments of the reagent and product molecules; this leads to the observation that the orientations of the reagent and product angular momenta are very strongly correlated. Next, canonical collision mechanisms theory [Aldegunde et al. , Phys. Chem. Chem. Phys. , 2008, 10 , 1139] is used to separate and characterise the stereodynamics of the two independent collision mechanisms that contribute to the collision dynamics; this leads to the observation that the average product orientation is determined by the relative contributions of the two canonical mechanisms, which have comparable importance but are associated with starkly contrasting angular momentum orientations. These observations lead to a new and rigorous explanation of the experimental results reported a decade ago by Lorenz et al. [ Science , 2001, 293 , 2063]. The central fact of the new explanation is the incoherent, interference-free superposition of two independent collision mechanisms. This makes the new explanation radically different from the only one previously suggested, namely that the experimental observations might be due to quantum interference in a single collision mechanism. Incoherent, interference-free superposition of two independent collision mechanisms accounts for NO angular momentum orientation in inelastic Ar + NO collisions.
Author Aoiz, F. Javier
K os, Jacek
Jambrina, Pablo G
de Miranda, Marcelo P
AuthorAffiliation University of Leeds
Facultad de Química
Departamento de Química Física
University of Maryland
Department of Chemistry and Biochemistry
Universidad de Salamanca
Facultad de Ciencias Químicas
School of Chemistry
Universidad Complutense
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Issue 28
Keywords Inelastic scattering
Dynamics
Theory
Quantum interference
Collision
Angular momentum
Reagents
Theoretical study
Orientation
Mechanism
Language English
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Snippet This article reports a theoretical study of the stereodynamics of Ar + NO( X 2 Π, v = 0, j = 1/2, Ω = 1/2, = ±1) rotationally inelastic collisions. First,...
This article reports a theoretical study of the stereodynamics of Ar + NO(X(2)Π, v = 0, j = 1/2, Ω = 1/2, ε = ±1) rotationally inelastic collisions. First,...
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SubjectTerms Chemistry
Exact sciences and technology
General and physical chemistry
Title New findings regarding the NO angular momentum orientation in Ar-NO(2Π1/2) collisions
URI https://www.ncbi.nlm.nih.gov/pubmed/22710404
https://search.proquest.com/docview/1023295595
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