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Comment on “Theoretical investigation on bond and spectrum of cyclo[18]carbon (C18) with sp-hybridized”

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Abstract

Recently, Shuhong Xu et al. reported theoretical calculation of molecular structure, bonding, aromaticity, electron delocalization, and electronic spectrum of cyclo[18]carbon in J. Mol. Model., 26, 111 (2020). Due to inappropriate consideration of calculation strategy, misunderstanding of some analysis methods and concepts, and some errors in the data, there are misleading statements and unconvincing conclusions in their paper. Here, we will point out inadequacies of Shuhong Xu’s paper and put forward our own views. The contents of this comment will also help those who are studying cyclo[18]carbon to better understand this system and its analogues.

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Authors and Affiliations

  1. School of Environmental and Chemical Engineering, Jiangsu University of Science and Technology, Zhenjiang, 212100, People’s Republic of China

    Zeyu Liu

  2. Beijing Kein Research Center for Natural Sciences, Beijing, 100022, People’s Republic of China

    Tian Lu & Qinxue Chen

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  1. Zeyu Liu
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  2. Tian Lu
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  3. Qinxue Chen
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Contributions

Zeyu Liu: Investigation, and writing - review and editing

Tian Lu: Conceptualization, Investigation, Software, and writing - original draft

Qinxue Chen: Validation and writing - review and editing

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Correspondence to Tian Lu.

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Liu, Z., Lu, T. & Chen, Q. Comment on “Theoretical investigation on bond and spectrum of cyclo[18]carbon (C18) with sp-hybridized”. J Mol Model 27, 42 (2021). https://doi.org/10.1007/s00894-021-04665-9

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