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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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Detalles Bibliográficos
Autores principales:	Maghsoumi, Ali, Narita, Akimitsu, Dong, Renhao, Feng, Xinliang, Castiglioni, Chiara, Müllen, Klaus, Tommasini, Matteo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2016
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4906847/ https://www.ncbi.nlm.nih.gov/pubmed/26912311 http://dx.doi.org/10.1039/c5cp07755a

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