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Formation of H<sub>3</sub><sup>+</sup> from ethane dication induced by electron impact

Chemistry

Formation of H<sub>3</sub><sup>+</sup> from ethane dication induced by electron impact

Y. Zhang, B. Ren, et al.

This study delves into the dynamic formation of H3+ from ethane dication through groundbreaking experiments and theoretical analyses conducted by Yu Zhang and colleagues. Discover how electron impact ionization leads to fascinating reaction pathways and varying formation times!

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Playback language: English
Abstract
This study investigates the formation dynamics of H<sub>3</sub><sup>+</sup> from ethane dication using a combined experimental and theoretical approach. The experiment, employing 300 eV electron impact ionization of ethane, reveals a significant yield of H<sub>3</sub><sup>+</sup> + C<sub>2</sub>H<sub>3</sub><sup>+</sup>. Quantum chemistry calculations and ab initio molecular dynamics simulations demonstrate that H<sub>3</sub><sup>+</sup> formation occurs via transition state and roaming mechanisms on the ground-state potential energy surface of the ethane dication, with formation times ranging from 70 to 500 fs.
Publisher
Communications Chemistry
Published On
Nov 09, 2020
Authors
Yu Zhang, Baihui Ren, Chuan-Lu Yang, Long Wei, Bo Wang, Jie Han, Wandong Yu, Yueying Qi, Yaming Zou, Li Chen, Enliang Wang, Baoren Wei
Tags
H3+ formation
ethane dication
electron impact ionization
quantum chemistry
molecular dynamics
transition state
roaming mechanism
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