State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.
Chirality. 2012 Jun;24(6):451-8. doi: 10.1002/chir.22010. Epub 2012 Apr 28.
Novel copper(II) coordination compounds with chiral macrocyclic imine ligands derived from R-/S-camphor were asymmetrically synthesized and characterized with the aid of chiroptical spectroscopies. Crystal structures of both enantiomers were determined by single crystal X-ray diffraction analysis. Circular dichroism (CD) spectra were analyzed using a simplified exciton model as well as quantum chemical computations. The absolute configuration of the copper(II) coordination compounds determined from CD was found consistent with the crystal data. The copper(II) complexes were further investigated by vibrational CD (VCD) measurement combined with density functional theory calculation. The complex formation was evidenced by spectral shifts of the characteristic bands in the CD and VCD spectra.
新型铜（II）配合物具有手性大环亚胺配体，由 R-/S-莰烷衍生而来，通过手性光谱学进行了不对称合成和表征。通过单晶 X 射线衍射分析确定了两种对映异构体的晶体结构。圆二色（CD）光谱使用简化的激子模型以及量子化学计算进行了分析。通过 CD 确定的铜（II）配合物的绝对构型与晶体数据一致。通过振动圆二色（VCD）测量结合密度泛函理论计算进一步研究了铜（II）配合物。配合物的形成通过 CD 和 VCD 光谱中特征带的光谱位移得到证实。
