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

被引：127

作者：

Abbate, Sergio ^{[1
,2
]}

Longhi, Giovanna ^{[1
,2
]}

Lebon, France ^{[1
,2
]}

Castiglioni, Ettore ^{[1
,3
]}

Superchi, Stefano ^{[4
]}

Pisani, Laura ^{[4
]}

Fontana, Francesca ^{[5
]}

Torricelli, Franck ^{[5
]}

Caronna, Tullio ^{[5
]}

Villani, Claudio ^{[6
]}

Sabia, Rocchina ^{[6
]}

Tommasini, Matteo ^{[7
]}

Lucotti, Andrea ^{[7
]}

Mendola, Daniele ^{[7
]}

Mele, Andrea ^{[7
]}

Lightner, David A. ^{[8
]}

机构：

[1] Univ Brescia, Dipartimento Med Mol & Traslaz, I-25123 Brescia, Italy

[2] Consorzio Interuniv Sci Fis Mat CNISM, I-00100 Rome, Italy

[3] Jasco Europe, I-23894 Cremella, LC, Italy

[4] Univ Basilicata, Dipartimento Sci, I-85100 Potenza, Italy

[5] Univ Bergamo, Dipartimento Ingn Ind, I-24044 Dalmine, BG, Italy

[6] Univ Roma La Sapienza, Dipartimento Chim & Tecnol Farmaco, I-00185 Rome, Italy

[7] Politecn Milan, Dipartimento Chim Mat & Ingn Chim G Natta, I-20133 Milan, Italy

[8] Univ Nevada, Dept Chem, Reno, NV 89557 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2014年 / 118卷 / 03期

关键词：

ABSOLUTE-CONFIGURATION; RESOLUTION; CRYSTAL; ROUTE;

D O I：

10.1021/jp4105695

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1682 / 1695

页数：14

共 39 条

[1] Experimental and calculated circular dichroism spectra of monoaza[5]helicenes [J].