Structures and electron affinity energies of polycyclic quinones.

Xucheng Wang, Yao Cheng, Yaofeng Yuan, Yongfan Zhang, Wenfeng Wang

Abstract read

In one paragraph

Article in Heliyon, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

5 authors.

Xucheng WangKey Laboratory of Molecule Synthesis and Function Discovery, Fuzhou University, Fuzhou 350116, China.

Yao ChengKey Laboratory of Molecule Synthesis and Function Discovery, Fuzhou University, Fuzhou 350116, China.

Yaofeng YuanKey Laboratory of Molecule Synthesis and Function Discovery, Fuzhou University, Fuzhou 350116, China.

Yongfan ZhangKey Laboratory of Molecule Synthesis and Function Discovery, Fuzhou University, Fuzhou 350116, China.

Wenfeng WangKey Laboratory of Molecule Synthesis and Function Discovery, Fuzhou University, Fuzhou 350116, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this study, quinoid structures, semiquinone radical structures, and electron affinity energies (EAEs) of many polycyclic quinones containing heteroatoms (O, B, and F) or heterocycles (pyrrole, imidazole, and pyrazine) were calculated. Quinones with unstable quinoid structures and stable semiquinone radical structures had high EAEs. The main factors of quinoid structural instability were spatial repulsion and antiaromaticity, and the stability factors of the semiquinone radical structure comprised inductive effects, hydrogen bonds, electrostatic interactions, and orbital interactions. Compound

Indexed as

CalculationCrystal structureElectron affinity energyPolycyclic quinones

Identifiers

PMID35991986

DOI10.1016/j.heliyon.2022.e10107

PMCPMC9389180

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LicenceCC BY-NC-ND

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.