Measuring charge distribution of molecular cations by atomic Coulomb probe microscope

Imaging the charge distributions and structures of molecules and clusters will promote the understanding of the dynamics of the quantum system. Here, we report a method by using an Ar atom as a tip to probe the charge distributions of benzene (Bz) cations in gas phase. Remarkably, the measured charg...

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Bibliographic Details
Published in:arXiv.org 2022-11
Main Authors: Yu, Xitao, Hu, Xiaoqing, Zhou, Jiaqi, Zhang, Xinyu, Zhao, Xinning, Jia, Shaokui, Xue, Xiaorui, Ren, Dianxiang, Li, Xiaokai, Wu, Yong, Ren, Xueguang, Luo, Sizuo, Ding, Dajun
Format: Article
Language:English
Subjects:
Benzene
Cations
Charge distribution
Dimers
Isomers
Quantum theory
Vapor phases
Online Access:Get full text
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Summary:Imaging the charge distributions and structures of molecules and clusters will promote the understanding of the dynamics of the quantum system. Here, we report a method by using an Ar atom as a tip to probe the charge distributions of benzene (Bz) cations in gas phase. Remarkably, the measured charge distributions of Bz cation (QH =0.204,QC=-0.037)and dication (QH =0.248,QC=0.0853)agree well with the calculated Mulliken distributions,and the structures of Bz dimer is reconstructed by using the measured charge distributions. The structures of two Bz dimer isomers (T-shaped and PD isomers) can be resolved from the measured inter-molecular potential V(R) between two Bz ions, and the structures of Bz dimer agree well with the theoretical predictions.
ISSN:2331-8422
DOI:10.48550/arxiv.2211.02463