A dynamical (e,2e) investigation into the ionization of pyrazine

D. B. Jones; E. Ali; H. S. Chakraborty; C. G. Ning; G. García; D. H. Madison; M. J. Brunger

doi:10.1016/j.cplett.2021.139000

A dynamical (e,2e) investigation into the ionization of pyrazine

D. B. Jones, E. Ali, H. S. Chakraborty, C. G. Ning, G. García, D. H. Madison, M. J. Brunger

College of Science and Engineering

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of the unresolved outermost molecular orbitals (6a_g + 1b_1g) of pyrazine (C₄N₂H₄). Experimental triple differential cross sections (TDCS) are compared with cross sections calculated within a molecular 3-body distorted wave (M3DW) framework. The M3DW theory was able to reproduce the qualitative scattering behaviour in the binary region, but failed to describe the absolute intensity of the TDCS and the recoil scattering behaviour. Momentum profiles were used to identify possible sources where the M3DW may mask the quantum character of the ionized orbitals in describing the ionization dynamics.

Original language	English
Article number	139000
Number of pages	6
Journal	Chemical Physics Letters
Volume	781
DOIs	https://doi.org/10.1016/j.cplett.2021.139000
Publication status	Published - 16 Oct 2021

Keywords

Electron ionization
Pyrazine
Scattering dynamics

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title = "A dynamical (e,2e) investigation into the ionization of pyrazine",

abstract = "We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of the unresolved outermost molecular orbitals (6ag + 1b1g) of pyrazine (C4N2H4). Experimental triple differential cross sections (TDCS) are compared with cross sections calculated within a molecular 3-body distorted wave (M3DW) framework. The M3DW theory was able to reproduce the qualitative scattering behaviour in the binary region, but failed to describe the absolute intensity of the TDCS and the recoil scattering behaviour. Momentum profiles were used to identify possible sources where the M3DW may mask the quantum character of the ionized orbitals in describing the ionization dynamics.",

keywords = "Electron ionization, Pyrazine, Scattering dynamics",

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T1 - A dynamical (e,2e) investigation into the ionization of pyrazine

AU - Jones, D. B.

AU - Ali, E.

AU - Chakraborty, H. S.

AU - Ning, C. G.

AU - García, G.

AU - Madison, D. H.

AU - Brunger, M. J.

PY - 2021/10/16

Y1 - 2021/10/16

N2 - We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of the unresolved outermost molecular orbitals (6ag + 1b1g) of pyrazine (C4N2H4). Experimental triple differential cross sections (TDCS) are compared with cross sections calculated within a molecular 3-body distorted wave (M3DW) framework. The M3DW theory was able to reproduce the qualitative scattering behaviour in the binary region, but failed to describe the absolute intensity of the TDCS and the recoil scattering behaviour. Momentum profiles were used to identify possible sources where the M3DW may mask the quantum character of the ionized orbitals in describing the ionization dynamics.

AB - We report an experimental and theoretical investigation into the dynamics of electron-impact ionization of the unresolved outermost molecular orbitals (6ag + 1b1g) of pyrazine (C4N2H4). Experimental triple differential cross sections (TDCS) are compared with cross sections calculated within a molecular 3-body distorted wave (M3DW) framework. The M3DW theory was able to reproduce the qualitative scattering behaviour in the binary region, but failed to describe the absolute intensity of the TDCS and the recoil scattering behaviour. Momentum profiles were used to identify possible sources where the M3DW may mask the quantum character of the ionized orbitals in describing the ionization dynamics.

KW - Electron ionization

KW - Pyrazine

KW - Scattering dynamics

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UR - http://purl.org/au-research/grants/ARC/DP180101655

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DO - 10.1016/j.cplett.2021.139000

M3 - Article

AN - SCOPUS:85114143246

SN - 0009-2614

VL - 781

JO - Chemical Physics Letters

JF - Chemical Physics Letters

M1 - 139000

ER -

A dynamical (e,2e) investigation into the ionization of pyrazine

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