Atmospheric chemistry of E-CF3CH CHCF3: Reaction kinetics of OH radicals and products of OH-initiated oxidation

Qing, Feiyao; Guo, Qin; Chen, Liang; Quan, Hengdao; Mizukado, Junji

doi:10.1016/j.cplett.2018.05.023

Cited by 4 publications

(3 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The main atmospheric degradation pathway of HFO-1336mzz( Z ) is expected to be initiated by the OH radical. , Based on the degradation mechanism proposed by Baasandorj et al (2011) and based on studies of similar HFOs, HFO-1336mzz( E ), and HCFO-1233zd( E ), we expect a molecular yield of nearly 200% trifluoroacetaldehyde (TFAA, CF 3 CHO) as an intermediate product. TFAA is further degraded to different end-products, including trifluoroacetic acid (TFA, CF 3 COOH).…”

Section: Introductionmentioning

confidence: 94%

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

Rust

Vollmer

Henne

et al. 2023

Environ. Sci. Technol.

View full text Add to dashboard Cite

For the past few years, short-lived unsaturated halocarbons have been marketed as environmentally friendly replacements for long-lived halogenated greenhouse gases and ozone-depleting substances. The phase-in of unsaturated halocarbons for various applications, such as refrigeration and foam blowing, can be tracked by their emergence and increase in the atmosphere. We present the first atmospheric measurements of the hydrofluoroolefin (HFO) HFO-1336mzz(Z) ((Z)-1,1,1,4,4,4-hexafluoro-2-butene, cis-CF3CHCHCF3), a newly used unsaturated hydrofluorocarbon. HFO-1336mzz(Z) has been detected in >90% of all measurements since 2018 during multi-month campaigns at three Swiss and one Dutch location. Since 2019, it is found in ∼30% of all measurements that run continuously at the Swiss high-altitude Jungfraujoch station. During pollution events, mole fractions of up to ∼10 ppt were observed. Based on our measurements, Swiss and Dutch emissions were estimated at 2–7 Mg yr–1 (2019–2021) and 30 Mg yr–1 (2022), respectively. Modeled spatial emission distributions only partly conform to population density in both countries. Monitoring the presence of new unsaturated halocarbons in the atmosphere is crucial since long-term effects of their degradation products are still debated. Furthermore, the production of HFOs involves climate-active substances, which may leak to the atmospherein the case of HFO-1336mzz(Z), for example, the ozone-depleting CFC-113a (CF3CCl3).

show abstract

Section: Introductionmentioning

confidence: 94%

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

Rust

Vollmer

Henne

et al. 2023

Environ. Sci. Technol.

View full text Add to dashboard Cite

show abstract

“…In recent times, oxygenated hydrofluorocarbons (HFOCs), such as hydrofluoroethers (HFEs) and hydrofluoroalcohols (HFAs) have potentially considered as CFCs, HFCs, and HCFCs alternatives because of free Cl atoms and shorter atmospheric lifetimes [7,8]. It is, therefore, the decomposition of HFOCs compounds in the atmosphere has been a matter of scientific research interest in the past few years and recently [8][9][10][11][12][13]. Carbonyl difluoride (CF 2 O) is the key atmospheric decomposition products of HFOCs compounds and an important fluorine-containing reservoir species that plays a significant role in the atmospheric environment [8][9][10][11][14][15][16][17][18].…”

Section: Introductionmentioning

confidence: 99%

“…It is, therefore, the decomposition of HFOCs compounds in the atmosphere has been a matter of scientific research interest in the past few years and recently [8][9][10][11][12][13]. Carbonyl difluoride (CF 2 O) is the key atmospheric decomposition products of HFOCs compounds and an important fluorine-containing reservoir species that plays a significant role in the atmospheric environment [8][9][10][11][14][15][16][17][18]. Furthermore, CF 2 O is an important compound that uses as a semiconductor etching gas, cleaning gas, and a chemical intermediate to prepare other fluorinated compounds [9,[19][20][21], that is, CF 2 O is used instead of phosgene to react with amines for isocyanides production [22,23].…”

Section: Introductionmentioning

confidence: 99%

The catalytic effects of H₂O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF₂O)

Zhang

Lily

et al. 2021

Int J of Quantum Chemistry

View full text Add to dashboard Cite

The carbonyl fluoride (CF 2 O) is one of the significant atmospheric molecules, and its hydrolysis reaction has been considered the most potential removal process in the earth's troposphere. In this article, the hydrolysis reaction of CF 2 O assisted by H 2 O, basic (NH 3 and CH 3 NHCH 3 ), and acidic (H 2 SO 4 , HCOOH, and CF 3 COOH) catalysts have theoretically investigated using quantum chemical methods. These catalysts significantly decrease the hydrolysis reaction of barrier height by 20.4-28.8 kcal mol −1 .Here two H-transfer mechanisms have been identified in these catalyzed hydrolytic reactions as asynchronous collaborative caused by base molecules and the synchronous collaborative led by H 2 O and acid molecules. In addition, the rate coefficient and relative rate of all catalytic reactions have calculated using conventional transition state theory (TST) over a temperature range of 280-320 K. The results show that H 2 SO 4 has the best catalytic effect without considering the concentration of catalyst molecules in the atmosphere. On the contrary, a high concentration of HCOOH (10 ppbv) is dominant in the catalytic reaction when considered the concentrations of catalyst molecules. In this work, it was identified that the catalytic efficiencies of H 2 O, acid and base molecules upon addition reaction between CF 2 O and H 2 O is not only related to their catalytic mechanisms but also depending upon their concentrations in the atmosphere.

show abstract

Organic Hydrofluoro‐Olefins (HFOs) and Hydrochlorofluoro‐Olefins (HCFOs)

Glatt,

Mukhi,

Sodani

2024

Patty's Toxicology

View full text Add to dashboard Cite

Refrigerants that were generally toxic and flammable in the early 1900s were eventually replaced with chlorofluorocarbons (CFCs) in the early 1930s. Since then, they have undergone significant evolution, mostly driven by regulatory actions. The evolution pattern involves an initial phaseout of CFCs to hydrochlorofluorocarbons (HCFCs) followed by hydrofluorocarbons (HFCs), and finally to the current products which include a double bond in their structure and are referred to as hydrofluoro‐olefins (HFOs) and hydrochlorofluoro‐olefins (HCFOs); the term hydro(chloro)fluoro‐olefins (H(C)FOs) is employed when referring to both HFOs and HCFOs. These chemicals were/are also used as foam‐blowing agents, solvents, and propellants. Unlike HFCs and HCFCs, which are saturated organic compounds, H(C)FOs are unsaturated organic compounds (olefins or alkenes) and are composed of hydrogen, fluorine, and carbon (HFOs), or hydrogen, chlorine, fluorine, and carbon (HCFOs). The evolution of these products has mostly been driven by regulatory actions that were aimed at addressing their environmental impact. Initial scrutiny was placed on their stratospheric ozone depletion effects and later on their impact on global warming. H(C)FOs are generally categorized as having zero ozone depletion potential (ODP) and low global warming potential (GWP) and are considered more environmentally friendly, making them suitable substitutes for CFCs, HCFCs, and HFCs. The H(C)FOs reviewed in this chapter have relatively low toxicity and do not pose any health concerns for humans or the environment under normal use conditions. Toxicity datasets for a select number of substances have been reviewed by external scientific committees such as WEEL and ASHRAE as well as various regulatory bodies. Toxicological summaries of five representative commercial H(C)FOs are described in this chapter.

show abstract

Atmospheric chemistry of E-CF3CH CHCF3: Reaction kinetics of OH radicals and products of OH-initiated oxidation

Cited by 4 publications

References 17 publications

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

The catalytic effects of H₂O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF₂O)

Organic Hydrofluoro‐Olefins (HFOs) and Hydrochlorofluoro‐Olefins (HCFOs)

Contact Info

Product

Resources

About

Atmospheric chemistry of E-CF3CH CHCF3: Reaction kinetics of OH radicals and products of OH-initiated oxidation

Cited by 4 publications

References 17 publications

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

First Atmospheric Measurements and Emission Estimates of HFO-1336mzz(Z)

The catalytic effects of H2O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF2O)

Organic Hydrofluoro‐Olefins (HFOs) and Hydrochlorofluoro‐Olefins (HCFOs)

Contact Info

Product

Resources

About

The catalytic effects of H₂O, basic and acidic catalysts on the gas‐phase hydrolysis mechanism of carbonyl fluoride (CF₂O)