Observation of a HI leaving group following ultraviolet photolysis of CH2I2in water and an ab initio investigation of the O-H insertion/HI elimination reactions of the CH2I-I isopolyhalomethane species with H2O and 2H2O

Yun Liang Li, Cunyuan Zhao, Wai Ming Kwok, Xiangguo Guan, Peng Zuo, David Lee Phillips

Research output: Journal article publicationJournal articleAcademic researchpeer-review

19 Citations (Scopus)


Ultraviolet/visible absorption and pH measurements that indicate significant production of H+and I-product following ultraviolet photolysis of CH2I2in liquid water are presented. As such, the chemical reactivity of isodiiodomethane (CH2I-I) with H2O and 2H2O is explored using ab initio calculations and compared to previous results. The CH2I-I isopolyhalomethane species is found to react with water by an O-H insertion/HI elimination reaction mechanism that forms a HI leaving group.
Original languageEnglish
Pages (from-to)4671-4681
Number of pages11
JournalJournal of Chemical Physics
Issue number9
Publication statusPublished - 1 Sep 2003
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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