Chemical reactivity under collective vibrational strong coupling
- URL: http://arxiv.org/abs/2206.08937v1
- Date: Fri, 17 Jun 2022 00:56:12 GMT
- Title: Chemical reactivity under collective vibrational strong coupling
- Authors: Derek S. Wang, Johannes Flick, and Susanne F. Yelin
- Abstract summary: We study unimolecular dissociation reactions of many molecules collectively interacting with an infrared cavity mode.
We find that the reaction rate can slow down by increasing the number of aligned molecules if the cavity mode is resonant with a vibrational frequency of the molecules.
- Score: 0.0
- License: http://creativecommons.org/licenses/by-nc-nd/4.0/
- Abstract: Recent experiments of chemical reactions in optical cavities have shown great
promise to alter and steer chemical reactions but still remain poorly
understood theoretically. In particular the origin of resonant effects between
the cavity and certain vibrational modes in the collective limit is still
subject to active research. In this paper, we study unimolecular dissociation
reactions of many molecules collectively interacting with an infrared cavity
mode through their vibrational dipole moment. We find that the reaction rate
can slow down by increasing the number of aligned molecules if the cavity mode
is resonant with a vibrational frequency of the molecules. We also discover a
simple scaling relation that scales with the collective Rabi splitting to
estimate the onset of reaction rate modification by collective vibrational
strong coupling and numerically demonstrate these effects for up to 10,000
molecules.
Related papers
- Chemical Reaction Dynamics under Vibrational Strong Coupling [0.0]
We use classical, semi-classical and quantum-mechanical methods to simulate chemical reaction dynamics inside of an optical cavity.
Recent experiments have observed significant changes in reaction rates and equilibrium constants without any external input of energy.
arXiv Detail & Related papers (2024-01-03T16:32:23Z) - Exploring the impact of vibrational cavity coupling strength on
ultrafast CN + $c$-C$_6$H$_{12}$ reaction dynamics [45.46706627196389]
We study the ultrafast dynamics of CN radicals interacting with a cyclohexane and chloroform.
Reaction rates remain unchanged for all extracavity, on resonance, and off-resonance cavity coupling conditions.
arXiv Detail & Related papers (2023-10-29T19:46:42Z) - Quantum Control of Atom-Ion Charge Exchange via Light-induced Conical
Intersections [66.33913750180542]
Conical intersections are crossing points or lines between two or more adiabatic electronic potential energy surfaces.
We predict significant or measurable non-adiabatic effects in an ultracold atom-ion charge-exchange reaction.
In the laser frequency window, where conical interactions are present, the difference in rate coefficients can be as large as $10-9$ cm$3$/s.
arXiv Detail & Related papers (2023-04-15T14:43:21Z) - Dynamics of Transmon Ionization [94.70553167084388]
We numerically explore the dynamics of a driven transmon-resonator system under strong and nearly resonant measurement drives.
We find clear signatures of transmon ionization where the qubit escapes out of its cosine potential.
arXiv Detail & Related papers (2022-03-21T18:00:15Z) - Cavity-Altered Thermal Isomerization Rates and Dynamical Resonant
Localization in Vibro-Polaritonic Chemistry [0.0]
Reaction rates for molecules embedded in microfluidic optical cavities are altered when compared to rates observed under "ordinary" reaction conditions.
We study how strong coupling of an optical cavity mode to molecular vibrations affect the reactivity and how resonance behavior emerges.
arXiv Detail & Related papers (2021-09-28T09:06:08Z) - Cavity-modified unimolecular dissociation reactions via intramolecular
vibrational energy redistribution [0.0]
We show that an optical cavity resonantly coupled to particular anharmonic vibrational modes can interfere with unimolecular dissociation reaction rates.
In particular, when the cavity is initially empty, the dissociation rate decreases, while when the cavity is initially hotter than the molecule, the cavity can instead accelerate the reaction rate.
arXiv Detail & Related papers (2021-09-09T14:37:39Z) - Shining Light on the Microscopic Resonant Mechanism Responsible for
Cavity-Mediated Chemical Reactivity [0.0]
Strong light-matter interaction in cavity environments is emerging as a promising approach to control chemical reactions in a non-intrusive and efficient manner.
We leverage quantum-electrodynamical density-functional theory to unveil the microscopic mechanism behind the experimentally observed reduced reaction rate under cavity induced resonant vibrational strong light-matter coupling.
arXiv Detail & Related papers (2021-04-26T09:40:43Z) - Superreaction: the collective enhancement of a reaction rate by
molecular polaritons in the presence of energy fluctuations [0.0]
Molecular polaritons are hybrid states of light and matter formed by the strong coupling between molecular electronic or vibrational excitations and an optical cavity.
We show that, by exploiting the collective character of molecular polaritons, a superreaction can be realized.
The underlying mechanism is shown to be the enhancement of quantum coherence between different donors as the light-matter interaction becomes stronger.
arXiv Detail & Related papers (2021-03-30T08:46:37Z) - Collective spontaneous emission of two entangled atoms near an
oscillating mirror [50.591267188664666]
We consider the cooperative spontaneous emission of a system of two identical atoms, interacting with the electromagnetic field in the vacuum state.
Using time-dependent theory, we investigate the spectrum of the radiation emitted by the two-atom system.
We show that it is modulated in time, and that the presence of the oscillating mirror can enhance or inhibit the decay rate.
arXiv Detail & Related papers (2020-10-07T06:48:20Z) - Dynamical Strengthening of Covalent and Non-Covalent Molecular
Interactions by Nuclear Quantum Effects at Finite Temperature [58.999762016297865]
Nuclear quantum effects (NQE) tend to generate delocalized molecular dynamics.
NQE often enhance electronic interactions and, in turn, can result in dynamical molecular stabilization at finite temperature.
Our findings yield new insights into the versatile role of nuclear quantum fluctuations in molecules and materials.
arXiv Detail & Related papers (2020-06-18T14:30:29Z) - Optical Magnetometer: Quantum Resonances at pumping repetition rate of
1/n of the Larmor frequency [58.720142291102135]
Quantum sub-resonances at a repetition rate of $1/n$ of the Larmor frequency of the magnetic field inside the shield are experimentally observed and theoretically explained.
Investigations in single alkali atoms cells as well as mixed alkali atoms of K and Rb are presented.
arXiv Detail & Related papers (2020-02-20T09:14:56Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.