Helical Sense-Responsive and Substituent-Sensitive Features in Vibrational and Electronic Circular Dichroism, in Circularly Polarized Luminescence, and in Raman Spectra of Some Simple Optically Active Hexahelicenes
| Autor: | Sergio Abbate, Giovanna Longhi, France Lebon, Ettore Castiglioni, Stefano Superchi, Laura Pisani, Francesca Fontana, Franck Torricelli, Tullio Caronna, Claudio Villani, Rocchina Sabia, Matteo Tommasini, Andrea Lucotti, Daniele Mendola, Andrea Mele, David A. Lightner |
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| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: |
Circular dichroism
Substituent Analytical chemistry electronic circular dichroism via density Spectral line experimental spectra chemistry.chemical_compound symbols.namesake vibrational circular dichroism spectrum Circularly polarized luminescence helicities optically active theoretical spectra Physical and Theoretical Chemistry Settore CHIM/02 - Chimica Fisica Settore CHIM/07 - Fondamenti Chimici delle Tecnologie Surfaces Coatings and Films Electronic Optical and Magnetic Materials Crystallography General Energy chemistry X-ray magnetic circular dichroism Vibrational circular dichroism symbols Density functional theory Raman spectroscopy Luminescence |
| Popis: | Four different hexahelicenes, 5-aza-hexahelicene (1), hexahelicene (2), 2-methyl-hexahelicene (3), and 2-bromo-hexahelicene (4), were prepared and their enantiomers, which are stable at r.t., were separated. Vibrational circular dichroism (VCD) spectra were measured for compound 1; for all the compounds, electronic circular dichroism (ECD) and circularly polarized luminescence (CPL) spectra were recorded. Each type of experimental spectrum was compared with the corresponding theoretical spectrum, determined via Density Functional Theory (DFT). Following the recent papers by Nakai et al., this comparison allowed to identify some features related to the helicity and some other features typical of the substituent groups on the helical backbone. The Raman spectrum of compound 1 is also examined from this point of view. |
| Databáze: | OpenAIRE |
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