Theoretical study on reaction between fluorinated acetyl peroxy radical [CF3C(O)O2] and HO2 radical

Yu Zhi Zhou; Shao Wen Zhang; Qian Shu Li

Theoretical study on reaction between fluorinated acetyl peroxy radical [CF₃C(O)O₂] and HO₂ radical

Yu Zhi Zhou^*
, Shao Wen Zhang
, Qian Shu Li

^*此作品的通讯作者

化学与化工学院

Beijing Institute of Technology
Beijing Institute of Education

科研成果: 期刊稿件 › 文章 › 同行评审

2 引用（Scopus）

摘要

A DFT study on the reaction mechanism between CF₃C(O)O₂ and HO₂ radicals was carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism. The reaction prefers to occur on the singlet surface to produce fluorinated acetic acid and ozone.

源语言	英语
页（从-至）	1496-1499
页数	4
期刊	Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities
卷	27
期	8
出版状态	已出版 - 8月 2006

其它文件与链接

链接到 Scopus 的出版物

引用此

@article{cfffc6876c0f4b649c222b2ad10d2816,

title = "Theoretical study on reaction between fluorinated acetyl peroxy radical [CF3C(O)O2] and HO2 radical",

abstract = "A DFT study on the reaction mechanism between CF3C(O)O2 and HO2 radicals was carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism. The reaction prefers to occur on the singlet surface to produce fluorinated acetic acid and ozone.",

keywords = "DFT, Fluorinated acetic acid, Fluorinated acetyl peroxy radical, Reaction mechanism",

author = "Zhou, \{Yu Zhi\} and Zhang, \{Shao Wen\} and Li, \{Qian Shu\}",

year = "2006",

month = aug,

language = "English",

volume = "27",

pages = "1496--1499",

journal = "Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities",

issn = "0251-0790",

publisher = "Higher Education Press Limited Company",

number = "8",

}

TY - JOUR

T1 - Theoretical study on reaction between fluorinated acetyl peroxy radical [CF3C(O)O2] and HO2 radical

AU - Zhou, Yu Zhi

AU - Zhang, Shao Wen

AU - Li, Qian Shu

PY - 2006/8

Y1 - 2006/8

N2 - A DFT study on the reaction mechanism between CF3C(O)O2 and HO2 radicals was carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism. The reaction prefers to occur on the singlet surface to produce fluorinated acetic acid and ozone.

AB - A DFT study on the reaction mechanism between CF3C(O)O2 and HO2 radicals was carried out. It is suggested that both the triplet and singlet potential surfaces involve a complex mechanism. The reaction prefers to occur on the singlet surface to produce fluorinated acetic acid and ozone.

KW - DFT

KW - Fluorinated acetic acid

KW - Fluorinated acetyl peroxy radical

KW - Reaction mechanism

UR - https://www.scopus.com/pages/publications/33748925719

M3 - Article

AN - SCOPUS:33748925719

SN - 0251-0790

VL - 27

SP - 1496

EP - 1499

JO - Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

JF - Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

IS - 8

ER -

Theoretical study on reaction between fluorinated acetyl peroxy radical [CF3C(O)O2] and HO2 radical

摘要

其它文件与链接

指纹

引用此

Theoretical study on reaction between fluorinated acetyl peroxy radical [CF₃C(O)O₂] and HO₂ radical