• Spectroscopy and Spectral Analysis
  • Vol. 31, Issue 10, 2668 (2011)
SHI Jing1、*, SONG Yi2, ZHANG Chang-hua1, PENG Jin-feng1, and LI Ping1
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • show less
    DOI: 10.3964/j.issn.1000-0593(2011)10-2668-04 Cite this Article
    SHI Jing, SONG Yi, ZHANG Chang-hua, PENG Jin-feng, LI Ping. Investigation on the Molecular Structures and Electronic Absorption Spectra of Tanshinone ⅡA and Tanshinone ⅡA -Cu(Ⅱ) Complex[J]. Spectroscopy and Spectral Analysis, 2011, 31(10): 2668 Copy Citation Text show less

    Abstract

    Using an intensified spectroscopic detector CCD, the UV-Vis absorption spectra of tanshinone ⅡA and Tanshinone ⅡA-Cu(Ⅱ) complex were acquired. The stable geometric structures of Tanshinone ⅡA and TanshinoneⅡA -Cu(Ⅱ) complex were obtained by using density functional theory method. Based on the optimized geometric structures, the electronic absorption spectra of Tanshinone ⅡA and TanshinoneⅡA-Cu(Ⅱ) complex in gas phase and in ethanol solution were calculated by using time-dependent density functional theory. Results show that the solvent effect induces the red shift of spectrum for Tanshinone ⅡA and the blue shift of spectrum for Tanshinone ⅡA-Cu(Ⅱ) complex. The calculated absorption spectra including the solvent effect are in good agreement with the experimental results. The present work first measured and computed the electronic absorption spectra of Tanshinone ⅡA-Cu(Ⅱ) complex.
    SHI Jing, SONG Yi, ZHANG Chang-hua, PENG Jin-feng, LI Ping. Investigation on the Molecular Structures and Electronic Absorption Spectra of Tanshinone ⅡA and Tanshinone ⅡA -Cu(Ⅱ) Complex[J]. Spectroscopy and Spectral Analysis, 2011, 31(10): 2668
    Download Citation