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The excitation spectra of dibenzoborole containing π-electron systems: Controlling the electronic spectra by changing the p (π)− π* conjugation
We report time dependent density functional theory (TDDFT) calculations of the vertical excitation energies for the singlet states of three-coordinate 5H-Dibenzoborole (DBB) derivatives and four-coordinate 5-Fluoro-5H-dibenzoborole ion (FDBB) derivatives. These molecules show remarkable hypsochromic...
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| Main Authors: | , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
2006
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2562313/ https://ncbi.nlm.nih.gov/pubmed/16480302 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp0545492 |
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