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

doi:10.1063/1.1595636

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 publication › Journal article › Academic research › peer-review

20 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	4671-4681
Number of pages	11
Journal	Journal of Chemical Physics
Volume	119
Issue number	9
DOIs	https://doi.org/10.1063/1.1595636
Publication status	Published - 1 Sept 2003
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1595636

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Li, Y. L., Zhao, C., Kwok, W. M., Guan, X., Zuo, P., & Phillips, D. L. (2003). 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. Journal of Chemical Physics, 119(9), 4671-4681. https://doi.org/10.1063/1.1595636

@article{bc7a9cdb466b44048ac0df1c9485ac93,

title = "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",

abstract = "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.",

author = "Li, \{Yun Liang\} and Cunyuan Zhao and Kwok, \{Wai Ming\} and Xiangguo Guan and Peng Zuo and Phillips, \{David Lee\}",

year = "2003",

month = sep,

day = "1",

doi = "10.1063/1.1595636",

language = "English",

volume = "119",

pages = "4671--4681",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

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Li, YL, Zhao, C, Kwok, WM, Guan, X, Zuo, P & Phillips, DL 2003, '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', Journal of Chemical Physics, vol. 119, no. 9, pp. 4671-4681. https://doi.org/10.1063/1.1595636

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. / Li, Yun Liang; Zhao, Cunyuan; Kwok, Wai Ming et al.
In: Journal of Chemical Physics, Vol. 119, No. 9, 01.09.2003, p. 4671-4681.

Research output: Journal article publication › Journal article › Academic research › peer-review

TY - JOUR

T1 - 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

AU - Li, Yun Liang

AU - Zhao, Cunyuan

AU - Kwok, Wai Ming

AU - Guan, Xiangguo

AU - Zuo, Peng

AU - Phillips, David Lee

PY - 2003/9/1

Y1 - 2003/9/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0141676082

U2 - 10.1063/1.1595636

DO - 10.1063/1.1595636

M3 - Journal article

SN - 0021-9606

VL - 119

SP - 4671

EP - 4681

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 9

ER -