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Vibrational Spectroscopy of Trichloroethene Cation by Vacuum Ultraviolet Pulsed Field Ionization-photoelectron Method
Woo H K, Lau K C, Ng C Y*
Department of Chemistry,University of California at Davis,Davis,California 95616
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).
Key words:  Vacuum ultraviolet pulsed field ionization-photoelectron,Trichloroethene,Vibrational spectroscopy
FundProject:
利用真空紫外脉冲场电离-光电子方法研究三氯乙烯阳离子振动光谱
胡显冠, 刘佳聪, 伍灼耀*
加利福尼亚大学戴维斯分校化学系,戴维斯市,加利福尼亚州,95616
摘要:
在76400~79650 cm-1 的能量范围内测量了三氯乙烯的真空紫外脉冲场电离-光电子(VUV-PFI-PE)谱. 根据量子化学理论计算的频率以及Franck-Condon因子,对VUV-PFI-PE谱的振动谱带进行了标定,确认了11个三氯乙烯阳离子的振动频率,分别为: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
关键词:  真空紫外脉冲场电离-光电子  三氯乙烯  振动光谱
DOI:10.1088/1674-0068/17/3/292-304
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