Reactions of velocity-aligned atoms probed by Doppler profiles: H+O2→OH+O

Kim, Hong Lae; Wickramaaratchi, M. A.; Zheng, Xiaonan; Hall, Gregory E.

doi:10.1063/1.467712

Cited by 103 publications

(85 citation statements)

References 72 publications

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“…Therefore, using the symmetry of the Clebsch-Gordan coefficient in Eq. (17), one can see that in case Q r = 0 the differential cross section can differ from zero only when the rank K r is also even. This feature nicely fits with the known fact 45 that only the component of the reactant angular momentum orientation perpendicular to the reaction plane can contribute to the differential reaction cross section, see Eq.…”

Section: B Differential Cross Section For Bimolecular Chemical Reactmentioning

confidence: 95%

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Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD

Krasilnikov

Popov

Roncero

et al. 2013

The Journal of Chemical Physics

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The quantum mechanical approach to vector correlation of angular momentum orientation and alignment in chemical reactions [G. Balint- (2011)] reactions for which accurate scattering information has become recently available through time-dependent and time-independent approaches. Application of the theory to two important particular cases of the reactive collisions has been considered: (i) the influence of the angular momentum polarization of reactants in the entrance channel on the spatial distribution of the products in the exit channel and (ii) angular momentum polarization of the products of the reaction between unpolarized reactants. In the former case, the role of the angular momentum alignment of the reactants is shown to be large, particularly when the angular momentum is perpendicular to the reaction scattering plane. In the latter case, the orientation and alignment of the product angular momentum was found to be significant and strongly dependent on the scattering angle. The calculation also reveals significant differences between the vector correlation properties of the two reactions under study which are due to difference in the reaction mechanisms. In the case of F + HD reaction, the branching ratio between HF and DF production points out interest in the insight gained into the detailed dynamics, when information is available either from exact quantum mechanical calculations or from especially designed experiments. Also, the geometrical arrangement for the experimental determination of the product angular momentum orientation and alignment based on a compact and convenient spherical tensor expression for the intensity of the resonance enhanced multiphoton ionization (REMPI 2 + 1) signal is suggested. © 2013 AIP Publishing LLC.

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Section: B Differential Cross Section For Bimolecular Chemical Reactmentioning

confidence: 95%

“…The DCS for Li + HF(v r = 0, j r = 3) → LiF(v, j ) + H reaction at 317 meV has been calculated using Eq. (17) and are shown in Fig. 2.…”

Section: LI + Hf Chemical Reactionmentioning

confidence: 99%

Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD

Krasilnikov

Popov

Roncero

et al. 2013

The Journal of Chemical Physics

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“…These techniques motivate the interest to measure features of the k-kЈ -JЈ distribution in probing the product state selective dynamics of photoninitiated bimolecular reactions and have been successfully exploited by a number of groups to determine product stateselective differential cross sections with high precision. 16,17 Measurements have been performed either under thermal conditions 18,19 or, with potentially higher collision energy and angular resolution, under jet cooled expansion conditions. [20][21][22] The enhanced reagent number densities achieved using these techniques, compared with those typically obtained in conventional crossed-molecular beam methods, have now enabled full state-to-state differential cross sections to be measured for the ClϩCH 4 reaction.…”

Section: Aϩbc→abϩc ͑1͒mentioning

confidence: 99%

Product rotational polarization: Stereodynamics of the reaction Cl(2P3/2)+CD4(v=0,j=0)→DCl(v′=0,j′=1)+CD3

Zhang

Chen

Wang

et al. 2000

The Journal of Chemical Physics

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The angular momentum polarization of the products of the reaction Cl( 2 P 3/2 )ϩCD 4 (vϭ0,jϭ0) →DCl(vЈϭ0,jЈϭ1)ϩCD 3 is calculated via the quasiclassical trajectory method ͑QCT͒ based on extended London-Eyring-Polanyi-Sato ͑LEPS͒ potential energy surface ͑PES͒ at a collision energy of 0.28 eV ͑6.46 kcal/mol͒. In the stationary target frame ͑STF͒, the rotational alignment factor A 0 (2)stf has been calculated. In the meantime, we also present four polarization dependent ''generalized'' differential cross sections ͑PDDCS͒ (2 / )(d 00 /d t ), (2 / )(d 20 /d t ), (2 / )(d 22ϩ/d t ), and (2 / )(d 21Ϫ/d t ) in the center of mass frame. Furthermore, the distribution of dihedral angle P( r ), the distribution of angle between kЈ and JЈ, P( tr ), and the angular distribution of product rotational vectors in the form of polar plots in r and r are calculated as well. The calculated results are in good agreement with the experimental data.

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“…The measurement of product polarization as a function of scattering angle has been achieved with the development of photoloc method. [33][34][35][36][37] Most recently, Li 38 employed the QCT method to study the vector correlations between the product and reagent for the title reaction occurred on the 1A′ DK PES. They found that the OH products are produced mainly in the plane of H-O-H plane.…”

Section: Introductionmentioning

confidence: 99%

Effects of Reagent Rotation on Stereodynamics Information of the Reaction O(1

Kuang¹,

Chen²,

Zhang³

et al. 2010

Bulletin of the Korean Chemical Society

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Quasiclassical trajectory (QCT) method has been used to investigate stereodynamics information of the reaction O( 1 D)+H2 → OH+H on the DK (Dobbyn and Knowles) potential energy surface (PES) at a collision energy of 23.06 kcal/ mol, with the initial quantum state of reactant H2 being set for v = 0 (vibration quantum number) and j = 0-5 (rotation quantum number). The PDDCSs (polarization dependent differential cross sections) and the distributions of P(θr), P(ør), P(θr, ør) have been presented in this work. The results demonstrate that the products are both forward and backward scattered. As j increases, the backward scattering becomes weaker while the forward scattering becomes slightly stronger. The distribution of P(θr) indicates that the product rotational angular momentum j′ tends to align along the direction perpendicular to the reagent relative velocity vector k, but this kind of product alignment is found to be rather insensitive to j. Furthermore, the distribution of P(ør) indicates that the rotational angular momentum vector of the OH product is preferentially oriented along the positive direction of y-axis, and such product orientation becomes stronger with increasing j.

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Reactions of velocity-aligned atoms probed by Doppler profiles: H+O2→OH+O

Cited by 103 publications

References 72 publications

Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD

Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD

Product rotational polarization: Stereodynamics of the reaction Cl(2P3/2)+CD4(v=0,j=0)→DCl(v′=0,j′=1)+CD3

Effects of Reagent Rotation on Stereodynamics Information of the Reaction O(1

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