Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic Systems

Liu, Kopin

doi:10.1002/9781118180396.ch1

Cited by 30 publications

(55 citation statements)

References 95 publications

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“…They not only have a profound influence on both the rate and product distribution, but also provide sensitive probes to the potential energy surface (PES) of the reaction. Over the past decades, great efforts have been devoted to detecting resonances in chemical reactions and to studying their structures and dynamics [1][2][3] . Thanks to the close interaction between theory and experiment, an accurate physical picture of dynamical resonances in the F + H 2 (HD) → HF + H (D) reaction has been well established [4][5][6][7][8][9][10][11][12] .…”

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confidence: 99%

Feshbach resonances in the F + H2O → HF + OH reaction

Zhang

Chen

et al. 2020

Nat Commun

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Transiently trapped quantum states along the reaction coordinate in the transition-state region of a chemical reaction are normally called Feshbach resonances or dynamical resonances. Feshbach resonances trapped in the HF-OH interaction well have been discovered in an earlier photodetchment study of FH 2 O − ; however, it is not clear whether these resonances are accessible by the F + H 2 O reaction. Here we report an accurate state-to-state quantum dynamics study of the F + H 2 O → HF + OH reaction on an accurate newly constructed potential energy surface. Pronounced oscillatory structures are observed in the total reaction probabilities, in particular at collision energies below 0.2 eV. Detailed analysis reveals that these oscillating structures originate from the Feshbach resonance states trapped in the hydrogen bond well on the HF(v′ = 2)-OH vibrationally adiabatic potentials, producing mainly HF(v′ = 1) product. Therefore, the resonances observed in the photodetchment study of FH 2 O − are accessible to the reaction.

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confidence: 99%

Feshbach resonances in the F + H2O → HF + OH reaction

Zhang

Chen

et al. 2020

Nat Commun

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“…The interference effects are clearly evident in the final Cl atomic photofragment velocity distributions, which show strongly oscillating patterns with a significant number of well defined peaks for all the nanodroplets (N = 50, 100, 200, 300 and 500). Even though interferences are one of the most interesting phenomena in chemical physics 13 and, of course, in reaction dynamics, 14,15 they were not the main focus of our previous work, 4 because of their very specific character and often complex analysis, [13][14][15] even for small systems. 16 The paper is organized as follows: in Section II the theoretical methods used are described briefly.…”

Section: Introductionmentioning

confidence: 96%

Quantum interferences in the photodissociation of Cl₂(B) in superfluid helium nanodroplets (⁴He)_N

Vila

González

Mayol

2015

Phys. Chem. Chem. Phys.

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Quantum interferences are probably one of the most fascinating phenomena in chemical physics and, particularly, in reaction dynamics, where they are often very elusive from an experimental perspective. Here, we have theoretically investigated, using a hybrid method recently proposed by us, the dynamics of the formation of confinement quantum interferences in the photodissociation of a Cl2 molecule (B ← X electronic excitation) embedded in a superfluid helium nanodroplet of different sizes (50-500 (4)He atoms), which is to the best of our knowledge the first time that this type of interference is described in reaction dynamics. Thus, we have widely extended a recent contribution of our group, where interferences were not the main target, identifying the way they are formed and lead to the production of strongly oscillating velocity distributions in the Cl dissociating atoms, and also paying attention to the energy transfer processes involved. This probably corresponds to a rather general behavior in the photodissociation of molecules in helium nanodroplets. We hope that the present study will encourage the experimentalists to investigate this captivating phenomenon, although the technical difficulties involved are very high.

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“…For instance, in physical and chemical systems, atomic and molecular spectroscopy is arguably one of the most prominent manifestations of resonance, wherein the photon energy is varied such that it matches the difference in the energies of two levels of species, and consequently leads to the appearance of sharp peaks. At nuclear level, resonance occurs in electron and many particle scattering processes [2]. In all of these chemical and nuclear processes, reactive resonances appear as quasi-bound states or transiently short-lived chemical species, and they can arise from energy wells in vibrationally adiabatic potentials [3].…”

Section: Introductionmentioning

confidence: 99%

Vibrational and stochastic resonances in driven nonlinear systems

Vincent

McClintock

Khovanov

et al. 2021

Phil. Trans. R. Soc. A.

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Nonlinear systems are abundant in nature. Their dynamics have been investigated very extensively, motivated partly by their multidisciplinary applicability, ranging from all branches of physical and mathematical sciences through engineering to the life sciences and medicine. When driven by external forces, nonlinear systems can exhibit a plethora of interesting and important properties—one of the most prominent being that of resonance. In the presence of a second, higher frequency, driving force, whether stochastic or deterministic/periodic, a resonance phenomenon arises that can generally be termed stochastic resonance or vibrational resonance. Operating a system in or out of resonance promises applications in several advanced technologies, such as the creation of novel materials at the nano, micro and macroscales including, but not limited to, materials having photonic band gaps, quantum control of atoms and molecules as well as miniature condensed matter systems. Motivated in part by these potential applications, this 2-part Theme Issue provides a concrete up-to-date overview of vibrational and stochastic resonances in driven nonlinear systems. It assembles state-of-the-art, original contributions on such induced resonances—addressing their analysis, occurrence and applications from either the theoretical, numerical or experimental perspectives, or through combinations of these. This article is part of the theme issue ‘Vibrational and stochastic resonance in driven nonlinear systems (part 1)’.

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Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic Systems

Cited by 30 publications

References 95 publications

Feshbach resonances in the F + H2O → HF + OH reaction

Feshbach resonances in the F + H2O → HF + OH reaction

Quantum interferences in the photodissociation of Cl₂(B) in superfluid helium nanodroplets (⁴He)_N

Vibrational and stochastic resonances in driven nonlinear systems

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Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic Systems

Cited by 30 publications

References 95 publications

Feshbach resonances in the F + H2O → HF + OH reaction

Feshbach resonances in the F + H2O → HF + OH reaction

Quantum interferences in the photodissociation of Cl2(B) in superfluid helium nanodroplets (4He)N

Vibrational and stochastic resonances in driven nonlinear systems

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Product

Resources

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Quantum interferences in the photodissociation of Cl₂(B) in superfluid helium nanodroplets (⁴He)_N