Observation of different reactivities of para and ortho-water towards trapped diazenylium ions

Kilaj, Ardita; Gao, Hong; Rösch, Daniel; Rivero, Uxía; Küpper, Jochen; Willitsch, Stefan

doi:10.1038/s41467-018-04483-3

Cited by 107 publications

(113 citation statements)

References 33 publications

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“…They measured a twofold larger rate constant for a more polar conformer as a consequence of conformer-specific differences in the long-range ion-molecule interaction potentials (different leading long-range electrostatic coefficients C elst 2,1 for conformers with different dipole moments). In a similar experiment, (Kilaj et al, 2018) observed different reactivities of H 2 O molecules in para and ortho states in collisions with trapped diazenylium ions.…”

Section: E Cold Chemistrymentioning

confidence: 76%

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Cold hybrid ion-atom systems

et al. 2019

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Hybrid systems of laser-cooled trapped ions and ultracold atoms combined in a single experimental setup have recently emerged as a new platform for fundamental research in quantum physics. This paper reviews the theoretical and experimental progress in research on cold hybrid ion-atom systems which aim to combine the best features of the two well-established fields. We provide a broad overview of the theoretical description of ion-atom mixtures and their applications, and report on advances in experiments with ions trapped in Paul or dipole traps overlapped with a cloud of cold atoms, and with ions directly produced in a Bose-Einstein condensate. We start with microscopic models describing the electronic structure, interactions, and collisional physics of ion-atom systems at low and ultralow temperatures, including radiative and non-radiative charge transfer processes and their control with magnetically tunable Feshbach resonances. Then we describe the relevant experimental techniques and the intrinsic properties of hybrid systems. In particular, we discuss the impact of the micromotion of ions in Paul traps on ion-atom hybrid systems. Next, we review recent proposals for using ions immersed in ultracold gases for studying cold collisions, chemistry, many-body physics, quantum simulation, and quantum computation and their experimental realizations. In the last part we focus on the formation of molecular ions via spontaneous radiative association, photoassociation, magnetoassociation, and sympathetic cooling. We discuss applications and prospects of cold molecular ions for cold controlled chemistry and precision spectroscopy.

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Section: E Cold Chemistrymentioning

confidence: 76%

“…These discoveries were followed by the first observation of Bose-Einstein condensation in dilute atomic gases in 1995 to Eric A. Cornell, Wolfgang Ketterle and Carl E. Wieman (Cornell and Wieman, 2002;Ketterle, 2002).…”

Section: Contentsmentioning

confidence: 98%

Cold hybrid ion-atom systems

et al. 2019

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“…The present work suggests that rotations can play an important role for reactions involving large excess of translational energy and the implications for reaction dynamics involving polyatomic molecules are exciting. [55][56][57][58][59] As a next step, we intend to perform reactive molecular dynamics simulations for the cationic reaction between DBB and MA that is expected to be faster and in which concerted and stepwise mechanisms are anticipated to coexist. 23 To the best of our knowledge, no simulation study had been performed in Diels-Alder reactions starting from the beginning of the reaction without steered dynamics.…”

Section: Discussionmentioning

confidence: 99%

Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations

Rivero

Unke

Meuwly

et al. 2019

The Journal of Chemical Physics

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The Diels-Alder reaction between 2,3-dibromo-1,3-butadiene and maleic anhydride has been studied by means of multisurface adiabatic reactive molecular dynamics and the PhysNet neural network architecture. This system is used as a prototype to explore the concertedness, synchronicity and possible ways of promotion of Diels-Alder reactions. Analysis of the minimum dynamic path indicates that rotational energy is crucial (∼ 65%) to drive the system towards the transition state in addition to collision energy (∼ 20 %). Comparison with the reaction of butadiene and maleic anhydride shows that the presence of bromine substituents in the diene accentuates the importance of rotational excitation to promote the reaction. At the high total energies at which reactive events are recorded, the reaction is found to be direct and mostly synchronous. a) m.meuwly@unibas.ch b) stefan.willitsch@unibas.ch

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“…Moreover, by trapping multiple ions together one can form spatially well defined ordered structures called Coulomb crystals. In these systems, molecular ions can be sympathetically cooled [27], and high-precision spectroscopic measurements [28] and controlled chemical reactions [29,30] can be performed. Even a heat engine using a single trapped ion was recently demonstrated [31].…”

Section: Introductionmentioning

confidence: 99%

Classical and quantum dynamics of a trapped ion coupled to a charged nanowire

2019

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We study theoretically the mechanical drive of a trapped ultracold ion by a charged nanowire through their mutual Coulomb interaction. We characterize the perturbation of the trapping potential for the ion by the nanowire and discuss the parameters determining the dynamics of the ion under the action of the nanooscillator. We explore the classical dynamics as well as motional quantum states of the ion which can be generated and manipulated with the resonant drive of the nanowire and the effects of anharmonicities of the ion-trap potential on the system. Our modelling indicates that unusual quantum states of the ion motion can be generated with this approach and that sympathetic cooling and quantum entanglement can be realised when both subsystems operate in the quantum regime. The present ion-mechanical hybrid system might prove interesting as a new quantum device, for quantum sensing experiments, for spectroscopy and for mass spectrometry.

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Observation of different reactivities of para and ortho-water towards trapped diazenylium ions

Cited by 107 publications

References 33 publications

Cold hybrid ion-atom systems

Cold hybrid ion-atom systems

Reactive atomistic simulations of Diels-Alder reactions: The importance of molecular rotations

Classical and quantum dynamics of a trapped ion coupled to a charged nanowire

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