Atmospheric Chemistry of Methoxyflurane (CH3OCF2CHCl2): Kinetics of the gas-phase reactions with OH radicals, Cl atoms and O3

Hass, Sofie Askjær; Andersen, Simone T.; Andersen, Mads Peter; Nielsen, Ole John

doi:10.1016/j.cplett.2019.02.041

Cited by 13 publications

(10 citation statements)

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“…We determine the value for k 11 as the average of the two determined rate coefficients with uncertainty that encompasses the extremes of the individual determinations; hence: k 11 (OH + CH 3 OCF 2 CHF 2 ) = (2.25 ± 0.60) × 10 –14 cm 3 molecule –1 s –1 . As expected, the rate coefficient of the reaction with OH is smaller than that of the reaction with Cl. − …”

Section: Resultssupporting

confidence: 77%

Atmospheric Chemistry of CH₃OCF₂CHF₂

et al. 2021

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Fourier transform infrared spectroscopy has been used to follow the reaction of CH3OCF2CHF2 with either Cl or OH radicals within a photoreactor. Rate constants of k(OH + CH3OCF2CHF2) = (2.25 ± 0.60) × 10–14 cm3 molecule–1 s–1 and k(Cl + CH3OCF2CHF2) = (2.50 ± 0.39) × 10–13 cm3 molecule–1 s–1 were determined at 296 ± 2 K. Theoretical and experimental investigation of the Cl + CH3OCF2CHF2 reaction identified the formation of two main products, HC(O)OCF2CHF2 and COF2. Chlorine (and OH) radicals react with CH3OCF2CHF2 by H-abstraction from either the −CH3 or −CHF2 site. Abstraction from the −CH3 site was determined to constitute at least 60%, as determined from the formation of the primary product, HC(O)OCF2CHF2, which can only form from this abstraction site. At longer reaction times, HC(O)OCF2CHF2 further reacts and the yield of COF2 approaches two, the maximum possible with the number of F atoms in the reactant. The atmospheric lifetime of CH3OCF2CHF2 with OH radicals was determined to be 1.4 years. The global warming potentials over 20-, 100-, and 500-year time horizons were estimated to be 325, 88, and 25, respectively.

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Section: Resultssupporting

confidence: 77%

Atmospheric Chemistry of CH₃OCF₂CHF₂

et al. 2021

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“…13 The potent analgesic methoxyflurane (CH 3 OCF 2 CHCl 2 ) has multiple C–H bonds and a resultant atmospheric lifetime of 54 days, with a GWP of only 4. 27 The GWP of nitrous oxide has been revised down from 300 to 265 in the 2013 IPCC report, because of improved quantification, particularly the effects of increasing CO 2 levels upon the CO 2 –N 2 O infrared absorption spectra. 13 Per mass, desflurane has a GWP approximately 20 times that of sevoflurane, five times that of isoflurane, and 10 times that of N 2 O.…”

Section: Climate Change Chemistry and Anaesthesiamentioning

confidence: 99%

Environmental sustainability in anaesthesia and critical care

McGain

Muret

Lawson

et al. 2020

British Journal of Anaesthesia

235

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The detrimental health effects of climate change continue to increase. Although health systems respond to this disease burden, healthcare itself pollutes the atmosphere, land, and waterways. We surveyed the 'state of the art' environmental sustainability research in anaesthesia and critical care, addressing why it matters, what is known, and ideas for future work. Focus is placed upon the atmospheric chemistry of the anaesthetic gases, recent work clarifying their relative global warming potentials, and progress in waste anaesthetic gas treatment. Life cycle assessment (LCA; i.e. 'cradle to grave' analysis) is introduced as the definitive method used to compare and contrast ecological footprints of products, processes, and systems. The number of LCAs within medicine has gone from rare to an established body of knowledge in the past decade that can inform doctors of the relative ecological merits of different techniques. LCAs with practical outcomes are explored, such as the carbon footprint of reusable vs single-use anaesthetic devices (e.g. drug trays, laryngoscope blades, and handles), and the carbon footprint of treating an ICU patient with septic shock. Avoid, reduce, reuse, recycle, and reprocess are then explored. Moving beyond routine clinical care, the vital influences that the source of energy (renewables vs fossil fuels) and energy efficiency have in healthcare's ecological footprint are highlighted. Discussion of the integral roles of research translation, education, and advocacy in driving the perioperative and critical care environmental sustainability agenda completes this review.

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“…Using smog chamber technique, Hass et al. 19 experimentally determined the rate coefficient value of (5.04 ± 0.75) × 10 −13 cm 3 molecule −1 s −1 for the CH 3 OCF 2 CHCl 2 + Cl reaction at (296 ± 2) K. The rate coefficient calculated by using the CVT/SCT method is 2.71 × 10 −13 cm 3 molecule −1 s −1 at the 296 K, which is in reasonable agreement to the value reported experimentally. This rate coefficient value is also in good agreement with expectations based on the rate coefficient for the reaction of Cl atoms with similar compound viz.…”

Section: Resultsmentioning

confidence: 99%

“…Calculated rate coefficients at CCSD(T)//M06‐2X/6‐311++G(d,p) between 250 and 500 K for the CH 3 OCF 2 CHCl 2 + Cl reaction along with the available experimental value reported by Hass et al. 19 …”

Section: Resultsmentioning

confidence: 99%

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Atmospheric chemistry of methoxyflurane: Reaction with Cl atoms and further degradation

Hynniewta

Chandra

2022

Int J of Chemical Kinetics

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A dual-level direct dynamics technique is used to explore the kinetic properties of the reaction of Cl atoms with methoxyflurane (CH 3 OCF 2 CHCl 2 ). The energy profiles of two reaction channels of the two conformers are refined with the interpolated single-point energies (ISPE) method at the CCSD(T)/M06-2X level. The canonical variational transition state theory (CVT) with a small-curvature tunneling (SCT) correction is used to assess the rate coefficients over a wide temperature range (250-500 K) in order to get accurate results. At a temperature of 296 K, the calculated CVT/SCT rate coefficient k Cl = 2.71 × 10 −13 cm 3 molecule −1 s −1 is found to be in reasonably good agreement with the experimental result. Our calculations demonstrate that CH 3 OCF 2 CHCl 2 + Cl → CH 2 OCF 2 CHCl 2 + HCl (R1) reaction is the key pathway and a prominent conduit for CH 3 OCF 2 CHCl 2 degradation in the troposphere. The atmospheric loss of C • H 2 OCF 2 CHCl 2 and CH 3 OCF 2 C • Cl 2 radicals are discussed. The rate coefficient value of the oxidation of the primary product HC(O)OCF 2 CHCl 2 with the Cl atoms is 1.8 × 10 −14 cm 3 molecule −1 s −1 , and for the first time, the rate coefficient of HC(O)OCF 2 CHCl 2 + OH reaction has also been reported here.

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Atmospheric Chemistry of Methoxyflurane (CH3OCF2CHCl2): Kinetics of the gas-phase reactions with OH radicals, Cl atoms and O3

Cited by 13 publications

References 24 publications

Atmospheric Chemistry of CH₃OCF₂CHF₂

Atmospheric Chemistry of CH₃OCF₂CHF₂

Environmental sustainability in anaesthesia and critical care

Atmospheric chemistry of methoxyflurane: Reaction with Cl atoms and further degradation

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Atmospheric Chemistry of Methoxyflurane (CH3OCF2CHCl2): Kinetics of the gas-phase reactions with OH radicals, Cl atoms and O3

Cited by 13 publications

References 24 publications

Atmospheric Chemistry of CH3OCF2CHF2

Atmospheric Chemistry of CH3OCF2CHF2

Environmental sustainability in anaesthesia and critical care

Atmospheric chemistry of methoxyflurane: Reaction with Cl atoms and further degradation

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Atmospheric Chemistry of CH₃OCF₂CHF₂

Atmospheric Chemistry of CH₃OCF₂CHF₂