Chiriptical properties of fusedhelicenes

2014 Fiscal Year Final Research Report

• Project/Area Number: 24655029
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Organic chemistry
• Research Institution: Osaka University
• Principal Investigator: MORI Tadashi 大阪大学, 工学(系)研究科(研究院), 准教授 (70311769)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Keywords: 円二色性 / ヘリセン / 旋光度 / らせん / 理論計算 / 電子遷移モーメント / 磁気遷移モーメント / ダブルヘリセン

Outline of Final Research Achievements

Intrinsically chiral molecules have attracted much attention for asymmetric catalysts and chiral (supra)molecular architecture. The electronic CD are quite sensitive spectroscopic method to attain information on three-dimensional molecular structure through the angular correlations between electric and magnetic transition moments, with aid of the state-of-the-art ab initio calculations. We designed a fused helicenes, i.e. phenanthrochrysene and dinaphtho[6]helicene, where the electric and magnetic transition dipole moments are aligned in the same direction, by which the rotatory strength in CD spectrum can be significantly augmented. Successful enhancement of Cotton Effects for these fused helicenes may provide us with a new strategy for designing advance chiroptical materials and devices based on helical structure.

Free Research Field

キラリティー