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Antiaromaticity Gain Increases Potential for n-Type Charge Transport in Hydrogen-Bonded π-Conjugated Cores
Density functional theory computations suggest that formally non-aromatic organic dyes, like diketopyrrolopyrrole, naphthodipyrrolidone, indigo, and isoindigo, show increased [4n] π-antiaromatic character and decreased LUMO orbital energies upon hydrogen bonding, making them suitable molecular candi...
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| Publicado no: | Chem Commun (Camb) |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7046090/ https://ncbi.nlm.nih.gov/pubmed/31961352 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c9cc09670a |
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