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  • Letter
  • Open Access

Coherences of charge migration increasing with molecular size: A case study for chloro-alkyne ions H(CC)nCl+

Huihui Wang, Xue Ren, and Xinran Ren

Liantuan Xiao, Suotang Jia, and Yonggang Yang*

  • State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China

  • State Key Laboratory of Quantum Optics Technologies and Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006, China and Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan 030006, China

  • *Contact author: ygyang@sxu.edu.cn
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Phys. Rev. Research 7, L022003 – Published 3 April, 2025

DOI: https://doi.org/10.1103/PhysRevResearch.7.L022003

Abstract

A key goal of ultrafast science is to pursue long-lived electronic coherences during molecular processes. The electronic coherence during charge migration can be characterized by the strength of the electronic flux. We report the size dependence of the de- and recoherences of charge migration in H(CC)nCl+ by systematic quantum dynamics simulations for n=1–4. The result is counterintuitive, namely the overall extent of electronic coherence increases with molecular size. Charge migration in the longest ions lasts for more than 100 fs, while it stops at about 10 fs in many previously investigated molecules.

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Phys. Rev. Research 7, L022003– Published 3 April, 2025
  • Received 26 February 2024
  • Accepted 18 March 2025
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Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

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