Zhao-hui Li, Ye-peng Yu, Xuan Lin, Jun Chen, Hang Zhang, Yan-bo Li, Huan-huan Wang, Qing-hui Meng, Rui-rui Sun, Xiao-bin Shan, Fu-yi Liu, Liu-si Sheng. Experimental and Theoretical Study on Dissociative Photoionization of Cyclopentanone[J]. Chinese Journal of Chemical Physics , 2018, 31(5): 619-625. doi: 10.1063/1674-0068/31/cjcp1804084
Citation: Zhao-hui Li, Ye-peng Yu, Xuan Lin, Jun Chen, Hang Zhang, Yan-bo Li, Huan-huan Wang, Qing-hui Meng, Rui-rui Sun, Xiao-bin Shan, Fu-yi Liu, Liu-si Sheng. Experimental and Theoretical Study on Dissociative Photoionization of Cyclopentanone[J]. Chinese Journal of Chemical Physics , 2018, 31(5): 619-625. doi: 10.1063/1674-0068/31/cjcp1804084

Experimental and Theoretical Study on Dissociative Photoionization of Cyclopentanone

doi: 10.1063/1674-0068/31/cjcp1804084
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  • Corresponding author: Fu-yi Liu, E-mail: fyliu@ustc.edu.cn
  • Received Date: 2018-04-28
  • Accepted Date: 2018-05-18
  • Publish Date: 2018-10-27
  • The dissociative photoionization of cyclopentanone was investigated by means of a reflectron time-of-flight mass spectrometer (RTOF-MS) with tunable vacuum ultraviolet synchrotron radiation in the photon energy range of 9.0-15.5 eV. The photoionization efficiency (PIE) curves for molecular ion and fragment ions were measured. The ionization energy of cyclopentanone was determined to be 9.23$\pm$0.03 eV. Fragment ions from the dissociative photoionization of cyclopentanone were identified as C$_5$H$_7$O$^+$, C$_4$H$_5$O$^+$, C$_4$H$_8^+$/C$_3$H$_4$O$^+$, C$_3$H$_3$O$^+$, C$_4$H$_6^+$, C$_2$H$_4$O$^+$, C$_3$H$_6^+$, C$_3$H$_5^+$, C$_3$H$_4^+$, C$_3$H$_3^+$, C$_2$H$_5^+$ and C$_2$H$_4^+$. With the aid of the ab initio calculations at the $\omega$B97X-D/6-31+G(d, p) level of theory, the dissociative mechanisms of C$_5$H$_8$O$^+$ are proposed. Ring opening and hydrogen migrations are the predominant processes in most of the fragmentation pathways of cyclopentanone.

     

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