Vibrational and electronic circular dichroism monitoring of copper(II) coordination with a chiral ligand |
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| Authors: | Wu Tao Zhang Xiao-Peng Li Cheng-Hui Bou? Petr Li Yi-Zhi You Xiao-Zeng |
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| Institution: | State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China. |
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| Abstract: | 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. |
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| Keywords: | circular dichroism vibrational circular dichroism chiral coordination compounds coordination process density functional theory calculations |
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