Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane

Ruzhu Hu; Chengping Zhang; Feiyao Qing; Hengdao Quan

doi:10.1016/j.jfluchem.2016.03.008

Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane

Ruzhu Hu, Chengping Zhang, Feiyao Qing, Hengdao Quan^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

Efficient gas-phase bromination of 1, 1, 1, 2-tetrafluoroethane (HFC-134a) for the preparation of 1, 1-dibromo-1, 2, 2, 2-tetrafluoroethane (CF₃CFBr₂) has been described for the first time. A wide-ranging experimental investigation on the influence of some relevant process parameters was performed with the use of optimized parameters, resulting in the HFC-134a conversion yield and the selectivity to CF₃CFBr₂ of higher than 98% and 60%, respectively. Furthermore, the possible reaction pathways and products were identified with state-of-the-art density functional theory calculations. The gas-phase bromination of HFC-134a provided a potential method to produce CF₃CFBr₂ in currently related industry field.

Original language	English
Pages (from-to)	91-95
Number of pages	5
Journal	Journal of Fluorine Chemistry
Volume	185
DOIs	https://doi.org/10.1016/j.jfluchem.2016.03.008
Publication status	Published - 1 May 2016
Externally published	Yes

Keywords

1, 1, 1, 2-Tetrafluoroethane
1, 1-Dibromo-1, 2, 2, 2-Tetrafluoroethane
Density functional theory
Gas-phase bromination

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10.1016/j.jfluchem.2016.03.008

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@article{95f5a75fa3004f93b4744bcf989519c1,

title = "Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane",

abstract = "Efficient gas-phase bromination of 1, 1, 1, 2-tetrafluoroethane (HFC-134a) for the preparation of 1, 1-dibromo-1, 2, 2, 2-tetrafluoroethane (CF3CFBr2) has been described for the first time. A wide-ranging experimental investigation on the influence of some relevant process parameters was performed with the use of optimized parameters, resulting in the HFC-134a conversion yield and the selectivity to CF3CFBr2 of higher than 98% and 60%, respectively. Furthermore, the possible reaction pathways and products were identified with state-of-the-art density functional theory calculations. The gas-phase bromination of HFC-134a provided a potential method to produce CF3CFBr2 in currently related industry field.",

keywords = "1, 1, 1, 2-Tetrafluoroethane, 1, 1-Dibromo-1, 2, 2, 2-Tetrafluoroethane, Density functional theory, Gas-phase bromination",

author = "Ruzhu Hu and Chengping Zhang and Feiyao Qing and Hengdao Quan",

year = "2016",

month = may,

day = "1",

doi = "10.1016/j.jfluchem.2016.03.008",

language = "English",

volume = "185",

pages = "91--95",

journal = "Journal of Fluorine Chemistry",

issn = "0022-1139",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane

AU - Hu, Ruzhu

AU - Zhang, Chengping

AU - Qing, Feiyao

AU - Quan, Hengdao

PY - 2016/5/1

Y1 - 2016/5/1

N2 - Efficient gas-phase bromination of 1, 1, 1, 2-tetrafluoroethane (HFC-134a) for the preparation of 1, 1-dibromo-1, 2, 2, 2-tetrafluoroethane (CF3CFBr2) has been described for the first time. A wide-ranging experimental investigation on the influence of some relevant process parameters was performed with the use of optimized parameters, resulting in the HFC-134a conversion yield and the selectivity to CF3CFBr2 of higher than 98% and 60%, respectively. Furthermore, the possible reaction pathways and products were identified with state-of-the-art density functional theory calculations. The gas-phase bromination of HFC-134a provided a potential method to produce CF3CFBr2 in currently related industry field.

AB - Efficient gas-phase bromination of 1, 1, 1, 2-tetrafluoroethane (HFC-134a) for the preparation of 1, 1-dibromo-1, 2, 2, 2-tetrafluoroethane (CF3CFBr2) has been described for the first time. A wide-ranging experimental investigation on the influence of some relevant process parameters was performed with the use of optimized parameters, resulting in the HFC-134a conversion yield and the selectivity to CF3CFBr2 of higher than 98% and 60%, respectively. Furthermore, the possible reaction pathways and products were identified with state-of-the-art density functional theory calculations. The gas-phase bromination of HFC-134a provided a potential method to produce CF3CFBr2 in currently related industry field.

KW - 1, 1, 1, 2-Tetrafluoroethane

KW - 1, 1-Dibromo-1, 2, 2, 2-Tetrafluoroethane

KW - Density functional theory

KW - Gas-phase bromination

UR - http://www.scopus.com/inward/record.url?scp=84962211714&partnerID=8YFLogxK

U2 - 10.1016/j.jfluchem.2016.03.008

DO - 10.1016/j.jfluchem.2016.03.008

M3 - Article

AN - SCOPUS:84962211714

SN - 0022-1139

VL - 185

SP - 91

EP - 95

JO - Journal of Fluorine Chemistry

JF - Journal of Fluorine Chemistry

ER -

Theoretical and experimental studies for preparing 1, 1-dibromo-1,2,2,2-tetrafluoroethane on gas-phase bromination of 1,1,1,2-tetrafluoroethane

Abstract

Keywords

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