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Kendrick, Brian K.; Jayasinghe, Lalith; Moser, Steven; Auzinsh, M.; Shafer-Ray, Neil

doi:10.1103/physrevlett.86.2482

Cited by 10 publications

(6 citation statements)

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“…2. Kendrick et al (105,106) also examined the H + D 2 reaction in which HD(v = 0, j = 7) was detected in a velocity-sensitive manner, from which the integral cross section was estimated between a collision energy of 0.73 eV and 1.02 eV. They observed a bump (∼50% variation) in the integral cross section that agreed well with their calculations (partial waves up to J = 6).…”

mentioning

confidence: 61%

“…Conventional wisdom based on a large body of calculations for this reaction system, as well as other isotopic variants, has brought these results into question. It now seems clear that after summation of partial waves up to J = 30-35, no structure remains in the ICS energy dependence for the HD(v = 0, j = 7) product state (106). This conclusion has been independently obtained from the NGP QM calculations of Chao et al Kendrick (109) has analyzed in detail how partial wave summation affects stateresolved ICSs and DCSs for the H + D 2 reaction.…”

Section: An Old Problem Revisited: Does Resonance Structure In the Inmentioning

confidence: 84%

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SCATTERING RESONANCES IN THE SIMPLEST CHEMICAL REACTION

Fernández-Alonso

Zare

2002

Annu. Rev. Phys. Chem.

179

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Recent studies of state-resolved angular distributions show the participation of reactive scattering resonances in the simplest chemical reaction. This review is intended for those who wish to learn about the state-of-the-art in the study of the H + H2 reaction family that has made this breakthrough possible. This review is also intended for those who wish to gain insight into the nature of reactive scattering resonances. Following a tour across several fields of physics and chemistry where the concept of resonance has been crucial for the understanding of new phenomena, we offer an operational definition and taxonomy of reactive scattering resonances. We introduce simple intuitive models to illustrate each resonance type. We focus next on the last decade of H + H2 reaction dynamics. Emphasis is placed on the various experimental approaches that have been applied to the search for resonance behavior in the H + H2 reaction family. We conclude by sketching the road ahead in the study of H + H2 reactive scattering resonances.

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mentioning

confidence: 61%

Section: An Old Problem Revisited: Does Resonance Structure In the Inmentioning

confidence: 84%

SCATTERING RESONANCES IN THE SIMPLEST CHEMICAL REACTION

Fernández-Alonso

Zare

2002

Annu. Rev. Phys. Chem.

179

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“…In particular, a time-delayed mechanism for the forward angle scattering of the HD(v f ¼ 3, j f ¼ 0) final rovibrational state has been of much interest 1,37,38,82,83 (for other recent research on this reaction, see ref. [84][85][86][87][88][89][90][91][92][93][94][95][96]. The next section applies the glory theory of section II to the angular scattering of the state-to-state transition…”

Section: Forward Glory Scattering In the H + D 2 ! Hd + D Reactionmentioning

confidence: 99%

Theory of forward glory scattering for chemical reactions

Connor

2004

Phys. Chem. Chem. Phys.

160

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The theory of forward glory scattering is developed for a state-to-state chemical reaction whose scattering amplitude can be expanded in a Legendre partial wave series. Two transitional approximations are derived that are valid for angles on, and close to, the axial caustic associated with the glory. These are the integral transitional approximation (ITA) and the semiclassical transitional approximation (STA), which is obtained when the stationary phase method is applied to the ITA. Both the ITA and STA predict that the scattering amplitude for glory scattering is proportional to a Legendre function of real degree or, to a very good approximation, a Bessel function of order zero. A primitive semiclassical approximation (PSA) is also derived that is valid at larger angles, away from the caustic direction, but which is singular on the caustic. The PSA demonstrates that glory structure arises from nearside-farside (NF) interference, in an analogous way to the two-slit experiment. The main result of the paper is a uniform semiclassical approximation (USA) that correctly interpolates between small angles, where the ITA and STA are valid, and larger angles where the PSA is valid. The USA expresses the scattering amplitude in terms of Bessel functions of order zero and unity, together with N and F cross sections and phases. In addition, various subsidiary approximations are derived. The input to the theory consists of accurate quantum scattering matrix elements. The theory also has the important attribute that it provides physical insight by bringing out semiclassical and NF aspects of the scattering. The theory is used to show that the enhanced small angle scattering in the F + Hreaction is a forward glory, where v i , j i , m i and v f , j f , m f are initial and final vibrational, rotational and helicity quantum numbers respectively. The forward angle scattering for the H + Dreaction is also analysed and shown to be a forward glory, in agreement with a simpler treatment by D. Sokolovski (Chem. Phys. Lett., 2003, 370, 805), which is a special case of the STA.

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“…While a general resonance signature is as of yet unknown, it is clear that state-and/or angle-resolved measurements are required. Recently, Shafer-Ray and co-workers 41 observed a peak in the integral cross section ͑ICS͒ versus energy for the reaction HϩD 2 →DϩHD (vЈϭ0, jЈϭ7), which also appeared in the calculations of Kendrick, that seemed to indicate resonance. To investigate the proposed resonance interpretation, we 42 ͑and also Aoiz et al 43 and Kendrick 44 ͒ have performed a fully converged quantum scattering calculation wherein the theoretical peak disappeared, suggesting the observation might be an artifact of the experimental sensitivity function.…”

Section: Introductionmentioning

confidence: 99%

A fully state- and angle-resolved study of the H+HD→D+H2 reaction: Comparison of a molecular beam experiment to ab initio quantum reaction dynamics

Chao

Harich

Dai

et al. 2002

The Journal of Chemical Physics

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We present the results of a joint experimental and theoretical investigation of the reaction dynamics of the HϩHD→DϩH 2 chemical reaction. The experiment was performed using a crossed molecular beam apparatus that employed the Rydberg-atom time-of-flight detection scheme for the product D atom. The photolysis of a HI precursor molecule produced a beam source of hot H atoms, which, when crossed with a cold HD beam, yielded two well-defined center-of-mass collision energies, E C ϭ0.498 and 1.200 eV. The resolution of the experiment was sufficient to allow the measurement of the rovibrationally state-resolved differential cross section from the ground state of the HD reagent. The reaction was modeled theoretically using a converged coupled channel scattering calculation employing the BKMP2 potential energy surface: The S matrix was computed on a grid of 56 energies in the range E C ϭ0.245-1.551 eV. It is found that the experimental and theoretical state-to-state differential cross sections are in quantitative agreement at the two experimental energies. The geometric phase, which was not included in the calculation, is apparently not required at the energies considered. The spin statistics for the two identical protons is observed to have a dramatic effect on the rotational distribution of H 2 products, giving rise to a saw-toothed distribution with odd-jЈϾeven-jЈ. The differential cross section for several of the product states exhibited a dramatic forward peak that may be the signature of trapped quantum states near the saddle point. A detailed analysis of the reaction attributes is presented based on the energy dependence of the computed S matrix.

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Erratum: Observation of Predicted Resonance Structure in theH+D2→HD(v′=

Abstract: Erratum: Observation of Predicted Resonance Structure in the H 1 D 2 ! HD͑ ͑ ͑y 0 5 0, j 0 5 7͒ ͒ ͒ 1 D Reaction at a Collision Energy of 0.94 eV [Phys. Rev. Lett. 84, 4325 (2000)]

Cited by 10 publications

References 1 publication

SCATTERING RESONANCES IN THE SIMPLEST CHEMICAL REACTION

SCATTERING RESONANCES IN THE SIMPLEST CHEMICAL REACTION

Theory of forward glory scattering for chemical reactions

A fully state- and angle-resolved study of the H+HD→D+H2 reaction: Comparison of a molecular beam experiment to ab initio quantum reaction dynamics

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