Comment on "Polycyclic aromatic hydrocarbons containing antiaromatic chalcogenopyrano[3,2-b]-chalcogenopyrans" by W. Chen, H. Zong, Y. Xie, J. Xu, J.-W. Cai, S.-D. Wang and G. Zhou, Org. Chem. Front., 2024, 11, 390

被引:0
作者
Soriano-Agueda, Luis [1 ,2 ]
机构
[1] Donostia Int Phys Ctr DIPC, Donostia San Sebastian 20018, Euskadi, Spain
[2] Univ Nacl Autonoma Mexico, Fac Quim, Dept Fis & Quim Teor, Mexico City 04510, Mexico
来源
ORGANIC CHEMISTRY FRONTIERS | 2024年 / 11卷 / 21期
关键词
MULTICENTER BOND INDEXES; ELECTRON DELOCALIZATION; DENSITY; EXCHANGE; MAGNETIZABILITIES; INSIGHTS;
D O I
10.1039/d4qo01073f
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
A recent article by Zhou, G. et al. (Org. Chem. Front, 2024, 11, 390) reports the global aromaticity of a family of polycyclic hydrocarbons. Here, through multiple indices to estimate electronic delocalization, it is demonstrated that these molecules do not present global aromaticity, only some of them have local aromaticity.
引用
收藏
页码:6265 / 6271
页数:7
相关论文
共 50 条
  • [1] Density functional theory study of the influence of activating and deactivating groups on Naphthalene
    Apebende, Chioma G.
    Idante, Precious S.
    Magu, Thomas O.
    Asogwa, Fredrick C.
    Onyebuenyi, Izubundu B.
    Unimuke, Tomsmith O.
    Gber, Terkumbur E.
    [J]. RESULTS IN CHEMISTRY, 2022, 4
  • [2] Substituent Effect on Triplet State Aromaticity of Benzene
    Baranac-Stojanovic, Marija
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 2020, 85 (06) : 4289 - 4297
  • [3] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) : 5648 - 5652
  • [4] Bultinck P, 2005, J PHYS ORG CHEM, V18, P706, DOI [10.1002/poc.922, 10.1003/poc.922]
  • [5] Casademont-Reig I., 2021, AROMATICITY
  • [6] Reply to the Correspondence on "How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring"
    Casademont-Reig, Irene
    Soriano-Agueda, Luis
    Ramos-Cordoba, Eloy
    Torrent-Sucarrat, Miquel
    Matito, Eduard
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022, 61 (36)
  • [7] How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring**
    Casademont-Reig, Irene
    Guerrero-Aviles, Raul
    Ramos-Cordoba, Eloy
    Torrent-Sucarrat, Miquel
    Matito, Eduard
    [J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 60 (45) : 24080 - 24088
  • [8] How do the Huckel and Baird Rules Fade away in Annulenes?
    Casademont-Reig, Irene
    Ramos-Cordoba, Eloy
    Torrent-Sucarrat, Miquel
    Matito, Eduard
    [J]. MOLECULES, 2020, 25 (03):
  • [9] New electron delocalization tools to describe the aromaticity in porphyrinoids
    Casademont-Reig, Irene
    Woller, Tatiana
    Contreras-Garcia, Julia
    Alonso, Mercedes
    Torrent-Sucarrat, Miquel
    Matito, Eduard
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (04) : 2787 - 2796
  • [10] Polycyclic aromatic hydrocarbons containing antiaromatic chalcogenopyrano[3,2-b]-chalcogenopyrans
    Chen, Weinan
    Zong, Hao
    Xie, Yujie
    Xu, Jianping
    Cai, Jia-Wei
    Wang, Sui-Dong
    Zhou, Gang
    [J]. ORGANIC CHEMISTRY FRONTIERS, 2024, 11 (02) : 390 - 400