Infrared Spectra of Chlorinated Ethylene Cations: C2Cl4+, C2HCl3+, 1,1-C2H2Cl2+, and tr

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• 作者：Han Zhou ; Yu Gong ; Mingfei Zhou
• 刊名：Journal of Physical Chemistry A
• 出版年：2007
• 出版时间：February 1, 2007
• 年：2007
• 卷：111
• 期：4
• 页码：603 - 609
• 全文大小：126K
• 年卷期：v.111,no.4(February 1, 2007)
• ISSN：1520-5215

文摘

Infrared spectra of chlorinated ethylene cations: C₂Cl₄⁺, C₂HCl₃⁺, 1,1-C₂H₂Cl₂⁺, and trans-C₂H₂Cl₂⁺ isolatedin solid argon are presented. These cations were produced by co-deposition of chlorinated ethylene/Ar mixtureswith high-frequency-discharged Ar at 4 K. Photosensitive absorptions are assigned to different vibrationalmodes of the cations on the basis of observed chlorine isotopic shifts and quantum chemical frequencycalculations. With the removal of one electron from the HOMO of chlorinated ethylene neutrals that is C=Cbonding and C-Cl antibonding in character, the observed C-Cl stretching vibrational frequencies of thecations are blue-shifted relative to those of the chlorinated ethylene neutrals. The results also show that thecations can be regarded as "isolated" with the vibrational frequencies only slightly shifted when compared tothe available gas-phase values.