Fragmentation dynamics of doubly charged camphor molecule following C 1s Auger decay

Sen, Sanket and Mandal, S. and Sen, Arnab and et al, . (2022) Fragmentation dynamics of doubly charged camphor molecule following C 1s Auger decay. Physical Chemistry Chemical Physics, 24 (5). pp. 2944-2957. ISSN 1463-9076

Text
Physical_Chemistry_Chemical_Physics.pdf - Published Version
Restricted to Registered users only
Download (6MB) | Request a copy

Abstract

The fragmentation dynamics of the gas-phase, doubly charged camphor molecule, formed by Auger decay following carbon 1s ionisation, using soft X-ray synchrotron radiation, is presented in this work. The technique of velocity map imaging combined with a photoelectron-photoion-photoion coincidence (VMI-PEPIPICO) is used for both electron energy and ion momentum (in-sequence) measurements. The experimental study is complemented by molecular dynamics simulation, performed with an NVT (moles, volume, and temperature) ensemble. Velocity Verlet algorithms were used for time integration at various internal energies. These simulations validate observed dissociation pathways. From these, we successfully deduce that the internal energy of the doubly charged molecular ion has a significant contribution to the fragmentation mechanism. Notably, a prominent signature of the internal energy was observed in the experimentally determined energies of the neutral fragment in these deferred charge separation pathways, entailing a more detailed theoretical study to uncover the exact dissociation dynamics. This journal is © the Owner Societies.

[error in script]

IITH Creators:

IITH Creators	ORCiD

Item Type:

Article

Uncontrolled Keywords:

Auger decays; Carbon 1s; Electrons energy; Fragmentation dynamics; Gas-phases; Internal energies; Photoelectron photoion photoion coincidences; Soft X-ray; Velocity map imaging; X-ray synchrotron radiation

Subjects:

Physics
Materials Engineering > Materials engineering

Divisions:

Department of Material Science Engineering
Department of Physics

Depositing User:

. LibTrainee 2021

Date Deposited:

13 Jul 2022 12:17

Last Modified:

13 Jul 2022 12:17

URI:

http://raiithold.iith.ac.in/id/eprint/9656