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Edge chlorination of hexa-peri-hexabenzocoronene investigated by density functional theory and vibrational spectroscopy
We investigate the molecular structure and vibrational properties of perchlorinated hexa-peri-hexabenzocoronene (HBC-Cl) by density functional theory (DFT) calculations and IR and Raman spectroscopy, in comparison to the parent HBC. The theoretical and experimental IR and Raman spectra demonstrated...
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| Publicado no: | Phys Chem Chem Phys |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Royal Society of Chemistry
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4906847/ https://ncbi.nlm.nih.gov/pubmed/26912311 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c5cp07755a |
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