Jiu-zhong Yang, Feng Zhang, Liang-yuan Jia, Li-dong Zhang, Fei Qi, Hai-yan Fan, Ji-bao Cai. Experimental and Theoretical Study on Pyrolysis of Isopsoralen[J]. Chinese Journal of Chemical Physics , 2012, 25(3): 249-253. doi: 10.1088/1674-0068/25/03/249-253
Citation: Jiu-zhong Yang, Feng Zhang, Liang-yuan Jia, Li-dong Zhang, Fei Qi, Hai-yan Fan, Ji-bao Cai. Experimental and Theoretical Study on Pyrolysis of Isopsoralen[J]. Chinese Journal of Chemical Physics , 2012, 25(3): 249-253. doi: 10.1088/1674-0068/25/03/249-253

Experimental and Theoretical Study on Pyrolysis of Isopsoralen

doi: 10.1088/1674-0068/25/03/249-253
Funds:  We thank Dr. Yu-yang Li for the kind help in per-forming the experiments and writing the manuscript. The numerical calculations were supported by the Su-percomputing Center of USTC.
  • Received Date: 2012-01-17
  • The pyrolysis of isopsoralen was studied by synchrotron vacuum ultraviolet photoionization mass spectrometry at low pressure. The pyrolysis products were detected at different photon energies, the ratios of products to precursor were measured at various pyrolysis temperatures. The experimental results demonstrate that the main pyrolysis products are primary CO and sequential CO elimination products (C10H6O2 and C9H6O). The decomposition channels of isopsoralen were also studied by the density functional theory, then rate constants for competing pathways were calculated by the transition state theory. The dominant decom-position channels of isopsoralen and the molecular structures for corresponding products were identified by combined experimental and theoretical studies.
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Experimental and Theoretical Study on Pyrolysis of Isopsoralen

doi: 10.1088/1674-0068/25/03/249-253
Funds:  We thank Dr. Yu-yang Li for the kind help in per-forming the experiments and writing the manuscript. The numerical calculations were supported by the Su-percomputing Center of USTC.

Abstract: The pyrolysis of isopsoralen was studied by synchrotron vacuum ultraviolet photoionization mass spectrometry at low pressure. The pyrolysis products were detected at different photon energies, the ratios of products to precursor were measured at various pyrolysis temperatures. The experimental results demonstrate that the main pyrolysis products are primary CO and sequential CO elimination products (C10H6O2 and C9H6O). The decomposition channels of isopsoralen were also studied by the density functional theory, then rate constants for competing pathways were calculated by the transition state theory. The dominant decom-position channels of isopsoralen and the molecular structures for corresponding products were identified by combined experimental and theoretical studies.

Jiu-zhong Yang, Feng Zhang, Liang-yuan Jia, Li-dong Zhang, Fei Qi, Hai-yan Fan, Ji-bao Cai. Experimental and Theoretical Study on Pyrolysis of Isopsoralen[J]. Chinese Journal of Chemical Physics , 2012, 25(3): 249-253. doi: 10.1088/1674-0068/25/03/249-253
Citation: Jiu-zhong Yang, Feng Zhang, Liang-yuan Jia, Li-dong Zhang, Fei Qi, Hai-yan Fan, Ji-bao Cai. Experimental and Theoretical Study on Pyrolysis of Isopsoralen[J]. Chinese Journal of Chemical Physics , 2012, 25(3): 249-253. doi: 10.1088/1674-0068/25/03/249-253

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