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

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• 作者：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
• 刊名：Journal of Physical Chemistry C
• 出版年：2014
• 出版时间：January 23, 2014
• 年：2014
• 卷：118
• 期：3
• 页码：1682-1695
• 全文大小：705K
• ISSN：1932-7455

文摘

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.