The Beijing Key Laboratory for Nano-Photonics and Nano-Structure, Department of Physics Capital Normal University, Beijing, 100048, China.
Chirality. 2013 Oct;25(10):600-5. doi: 10.1002/chir.22177. Epub 2013 Jul 11.
An algorithm is employed to retrieve the differential bond polarizabilities of the C-C bonds from the Raman optical activity (ROA) spectrum of (-)α-pinene. (-)α-pinene possesses two asymmetric centers (carbon atoms) and a local mirror symmetry. These differential bond polarizabilities show the characteristics of the asymmetry around the asymmetric carbons with respect to the mirror reflection. This analysis is accompanied along with the ROA mode signatures and the calculated β(G ')(2) and β(A)(2) which show the ROA coupling mechanisms involving the electric/magnetic dipoles and the electric dipole/quadrupole, respectively.
采用算法从(-)α-蒎烯的拉曼活性(ROA)光谱中获取 C-C 键的差分键极化率。(-)α-蒎烯具有两个不对称中心(碳原子)和局部镜像对称。这些差分键极化率表现出相对于镜像反射的不对称碳原子周围的不对称特征。这种分析伴随着 ROA 模式特征以及计算出的β(G ')(2)和β(A)(2),它们分别显示了涉及电/磁偶极子和电偶极子/四极子的 ROA 耦合机制。