Woo H K, Lau K C, Ng C Y. Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method[J]. Chinese Journal of Chemical Physics , 2004, 17(3): 292-304. doi: 10.1088/1674-0068/17/3/292-304
Citation: Woo H K, Lau K C, Ng C Y. Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method[J]. Chinese Journal of Chemical Physics , 2004, 17(3): 292-304. doi: 10.1088/1674-0068/17/3/292-304

Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method

doi: 10.1088/1674-0068/17/3/292-304
  • Received Date: 2004-01-14
  • The vacuum ultraviolet(VUV)pulsed field ionization-photoelectron( PFI-PE)spectrum for trichloroethene(ClCH=CCl2)has been measured in the energy range of 76400-79650 cm-1 . The vibrational bands resolved in the VUV-PFI-PE spectrum are assigned based on ab initio vibrational frequencies and calculated Franck-Condon factors for the ionization transitions,yielding eleven vibrational frequencies for ClCH=CCl2+:v1+=148 cm-1,v2+= 80 cm-1,v3+=286 cm-1,v4+=402 cm-1,v5+= 472 cm-1,v6+=660 cm-1,v7+=875 cm-1,v8+=990 cm-1,v9+=1038 cm-1,v10+=1267 cm-1,and v11+=1408 cm-1. These measurements along with the frequency v12+=3073 cm-1 determined in the recent VUV-infrared photo-induced ionization study have provided the complete set of twelve experimental vibrational frequencies for ClCH = CCl2+ in its ground electronic state. On the basis of the spectral simulation of the origin VUV-PFI-PE vibrational band,we have determined the IE(ClCH=CCl2)to be(76441.7±2.0)cm-1((9.4776±0.0002)eV).
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Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method

doi: 10.1088/1674-0068/17/3/292-304

Abstract: The vacuum ultraviolet(VUV)pulsed field ionization-photoelectron( PFI-PE)spectrum for trichloroethene(ClCH=CCl2)has been measured in the energy range of 76400-79650 cm-1 . The vibrational bands resolved in the VUV-PFI-PE spectrum are assigned based on ab initio vibrational frequencies and calculated Franck-Condon factors for the ionization transitions,yielding eleven vibrational frequencies for ClCH=CCl2+:v1+=148 cm-1,v2+= 80 cm-1,v3+=286 cm-1,v4+=402 cm-1,v5+= 472 cm-1,v6+=660 cm-1,v7+=875 cm-1,v8+=990 cm-1,v9+=1038 cm-1,v10+=1267 cm-1,and v11+=1408 cm-1. These measurements along with the frequency v12+=3073 cm-1 determined in the recent VUV-infrared photo-induced ionization study have provided the complete set of twelve experimental vibrational frequencies for ClCH = CCl2+ in its ground electronic state. On the basis of the spectral simulation of the origin VUV-PFI-PE vibrational band,we have determined the IE(ClCH=CCl2)to be(76441.7±2.0)cm-1((9.4776±0.0002)eV).

Woo H K, Lau K C, Ng C Y. Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method[J]. Chinese Journal of Chemical Physics , 2004, 17(3): 292-304. doi: 10.1088/1674-0068/17/3/292-304
Citation: Woo H K, Lau K C, Ng C Y. Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method[J]. Chinese Journal of Chemical Physics , 2004, 17(3): 292-304. doi: 10.1088/1674-0068/17/3/292-304

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