Observation of the dynamics leading to a conical intersection in dissociative electron attachment to water

Haxton, Daniel J.; Adaniya, Hidehito; Slaughter, Daniel; Rudek, Benedikt; Osipov, T.; Weber, Thorsten; Rescigno, T. N.; McCurdy, C. William; Belkacem, A.

doi:10.1103/physreva.84.030701

Cited by 19 publications

(23 citation statements)

References 46 publications

(47 reference statements)

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“…The cross sections for formation of these anions can be large and often lead to dissociation into reactive negative ion and neutral fragments. The dynamics associated with these dissociative processes can be complex, involving conical intersections between different anion states and multiple fragment ion product channels [1][2][3][4]. The laboratory frame angular distributions of fragment ions can provide a unique insight into understanding the breakup process since they often contain signatures of the symmetry of the resonance state and are a key ingredient in unraveling the underlying dynamics of DEA [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Dynamics of dissociative electron attachment to ammonia

et al. 2016

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Ab initio theoretical studies and momentum imaging experiments are combined to provide a consistent picture of the dynamics of dissociative electron attachment (DEA) to ammonia through its 5.5 eV and 10.5 eV resonance channels. The present study clarifies the character and symmetry of the anion states involved and the dynamics that leads to the observed fragment ion channels, their branching ratios and angular distributions.

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Section: Introductionmentioning

confidence: 99%

Dynamics of dissociative electron attachment to ammonia

et al. 2016

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“…One way to deal with the problem of non-axial recoil would be to convolve the quantum mechanical attachment probability with recoil angle distributions obtained from classical trajectory calculations on the complex-valued anion potential energy surface [26,27]. A simpler modification, which we have used in the present case, is to assume the H atom fragments at a single, but nonaxial, angle in the body frame [25,28].…”

Section: Resultsmentioning

confidence: 99%

Ion-momentum imaging of dissociative-electron-attachment dynamics in acetylene

et al. 2014

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We present experimental results for dissociative electron attachment to acetylene near the 3 eV 2 Π g resonance. In particular, we use an ion-momentum imaging technique to investigate the dissociation channel leading to C 2 H − fragments. From our measured ion-momentum results we extract fragment kinetic energy and angular distributions. We directly observe a significant dissociation bending dynamic associated with the formation of the transitory negative ion. In modeling this bending dynamic with ab initio electronic structure and fixed-nuclei scattering calculations we obtain good agreement with the experiment.

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“…We note that there was a concerted attempt to map out such higher-lying Feshbach resonance in water. Here systematic studies of H 2 O − resonances [75][76][77][78] gave useful comparisons with experiment but obtaining complete agreement with the observations remains more difficult [79,80]. A similar methodology has been applied to CO 2 [81] and methane [82] in the 10 eV region.…”

Section: Discussionmentioning

confidence: 99%

Higher lying resonances in low-energy electron scattering with carbon monoxide*

Dora

Tennyson

Chakrabarti³

2016

Eur. Phys. J. D

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Abstract. R-matrix calculations on electron collisions with CO are reported whose aim is to identify any higher-lying resonances above the well-reported and lowest 2 Π resonance at about 1.6 eV. Extensive tests with respect to basis sets, target models and scattering models are performed. The final results are reported for the larger cc-pVTZ basis set using a 50 state close-coupling (CC) calculation. The BreitWigner eigenphase sum and the time-delay methods are used to detect and fit any resonances. Both these methods find a very narrow 2 Σ + symmetry Feshbach-type resonance very close to the target excitation threshold of the b 3 Σ + state which lies at 12.9 eV in the calculations. This resonance is seen in the CC calculation using cc-pVTZ basis set while a CC calculation using the cc-pVDZ basis set does not produce this feature. The electronic structure of CO − is analysed in the asymptotic region; 45 molecular states are found to correlate with states dissociating to an anion and an atom. Electronic structure calculations are used to study the behaviour of these states at large internuclear separation. Quantitative results for the total, elastic and electronic excitation cross sections are also presented. The significance of these results for models of the observed dissociative electron attachment of CO in the 10 eV region is discussed.

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Observation of the dynamics leading to a conical intersection in dissociative electron attachment to water

Cited by 19 publications

References 46 publications

Dynamics of dissociative electron attachment to ammonia

Dynamics of dissociative electron attachment to ammonia

Ion-momentum imaging of dissociative-electron-attachment dynamics in acetylene

Higher lying resonances in low-energy electron scattering with carbon monoxide*

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