Department of Applied Chemistry, Faculty of Science and Engineering, Kindai University, 3-4-1 Kowakae, Higashi-Osaka, Osaka 577-8502, Japan.
Org Biomol Chem. 2018 Feb 14;16(7):1093-1100. doi: 10.1039/c7ob02308a.
A C-symmeric binaphthyl framework bearing phenanthrene as the emitter exhibited circularly polarised luminescence (CPL) in dilute solutions. The CPL and circular dichroism signs of the luminophores were altered by solvents (chloroform, methanol, acetonitrile, and dimethylformamide). DFT and TD-DFT calculations indicated that the dihedral angle between the phenanthrene and naphthyl rings was responsible for the apparent sign inversion. The role of solvent molecules in the ground and photoexcited states was discussed based on Hansen solubility parameters (δ, δ, δ and δ).
一种具有联萘骨架的 C-对称BINAP 化合物，以菲作为发光体，在稀溶液中表现出圆偏振发光（CPL）。发光体的 CPL 和圆二色性（CD）信号可以通过溶剂（氯仿、甲醇、乙腈和二甲基甲酰胺）改变。DFT 和 TD-DFT 计算表明，菲和萘环之间的二面角是导致明显符号反转的原因。根据 Hansen 溶解度参数（δ、δ、δ 和 δ），讨论了溶剂分子在基态和光激发态中的作用。
