• Spectroscopy and Spectral Analysis
  • Vol. 41, Issue 1, 127 (2021)
Chao-yang CHEN1、1、*, Wei-zhi HUANG1、1, Qiang GAO1、1, Lu-wei FAN1、1, and Hsitien Shen Andy1、1
Author Affiliations
  • 1[in Chinese]
  • 11. Gemmological Institute, China University of Geosciences, Wuhan 430074, China
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    DOI: 10.3964/j.issn.1000-0593(2021)01-0127-04 Cite this Article
    Chao-yang CHEN, Wei-zhi HUANG, Qiang GAO, Lu-wei FAN, Hsitien Shen Andy. Assignments on Raman Peaks of Red Coral Based on Experimental Raman Spectroscopy and Density Functional Theory Calculation[J]. Spectroscopy and Spectral Analysis, 2021, 41(1): 127 Copy Citation Text show less
    Red coral (Corallium rubrum) samples
    Fig. 1. Red coral (Corallium rubrum) samples
    Structure of canthaxanthin
    Fig. 2. Structure of canthaxanthin
    Raman spectra of red coral samples
    Fig. 3. Raman spectra of red coral samples
    Theoretical Raman spectrum of canthaxanthin calculated by DFT
    Fig. 4. Theoretical Raman spectrum of canthaxanthin calculated by DFT
    Experimental Raman peaks
    of red coral/cm-1
    Theoretical Raman peaks
    of canthaxanthin/cm-1
    DifferenceDifference
    rate/%
    Assignments
    1 5141 51220.13C=C stretching
    1 2951 269262.00C—H rocking
    1 1771 189-121.02C—C stretching
    1 1251 159-343.02C—C stretching
    1 016999171.67methyl rocking
    Table 1. Comparison of Raman peaks of red corals with theoretical Raman peaks of canthaxanthin
    Chao-yang CHEN, Wei-zhi HUANG, Qiang GAO, Lu-wei FAN, Hsitien Shen Andy. Assignments on Raman Peaks of Red Coral Based on Experimental Raman Spectroscopy and Density Functional Theory Calculation[J]. Spectroscopy and Spectral Analysis, 2021, 41(1): 127
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