Assessment of the performance of six indices in predicating the aromaticity of planar porphyrinoids-Reference-Cited by-同舟云学术

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Assessment of the performance of six indices in predicating the aromaticity of planar porphyrinoids

Published:2023-03 Issue:3 Volume:29 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Ding Wenjing,Zhang Zhan,Chen Xi,Zhan Chang-guo

Funder

National Natural Science Foundation of China

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-023-05485-9.pdf

Reference56 articles.

1. Lin S, Diercks CS, Zhang YB, Kornienko N, Nichols EM, Zhao Y, Paris AR, Kim D, Yang P, Yaghi OM, Chang CJ (2015) Covalent organic frameworks comprising cobalt porphyrins for catalytic CO(2) reduction in water. Science 349(6253):1208–1213. https://doi.org/10.1126/science.aac8343

2. Fang X, Chen X, Wang Q, Yang YF, She YB (2020) Understanding the structures and aromaticity of heteroporphyrins with computations. Org Biomol Chem. https://doi.org/10.1039/d0ob00656d

3. Sondheimer F, Wolovsky R, Amiel Y (2002) Unsaturated macrocyclic compounds. XXIII.1 The synthesis of the fully conjugated macrocyclic polyenes cycloöctadecanonaene ([18]annulene),2 cyclotetracosadodecaene ([24]Annulene), and cyclotriacontapentadecaene ([30]Annulene). J Am Chem Soc 84(2):274–284. https://doi.org/10.1021/ja00861a030

4. Vogel E (1993) The porphyrins from the ‘annulene chemist’s’ perspective. Pure Appl Chem 65(1):143–152. https://doi.org/10.1351/pac199365010143

5. Casademont-Reig I, Woller T, Garcia V, Contreras-Garcia J, Tiznado W, Torrent-Sucarrat M, Matito E, Alonso M (2023) Quest for the most aromatic pathway in charged expanded porphyrins. Chemistry 29(6):e202202264. https://doi.org/10.1002/chem.202202264

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