Theoretical Study on the Structures, Electronic Properties, and Aromaticity of Thiophene Analogues of Anti-Kekulene
We predict the geometries, electronic properties, and aromaticity of thiophene analogues of anti-kekulene with six to nine thiophene rings <b>1</b>–<b>4</b>, together with those of cyclobutadithiophenes (CDTs) and anti-kekulene as reference compounds, using density functional...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-11-01
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| Series: | Chemistry |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2624-8549/4/4/102 |