The Atmospheric Chemistry of Fluoroacetonitrile and the Characterization of the Major Product, Cyanoformyl Fluoride
Fluorinated nitriles have been proposed as low-global-warming-potential substitutes for industrial applications such as plasma etching and as dielectric materials in high-voltage equipment. FT-IR spectroscopy was used to measure the radiative efficiency of CH<sub>2</sub>FCN and its react...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/3/478 |
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| Summary: | Fluorinated nitriles have been proposed as low-global-warming-potential substitutes for industrial applications such as plasma etching and as dielectric materials in high-voltage equipment. FT-IR spectroscopy was used to measure the radiative efficiency of CH<sub>2</sub>FCN and its reactivity towards Cl and OH radicals, and to determine products from the Cl reaction. Relative rate experiments yielded rate constants for Cl and OH reactions of (2.1 ± 0.3) × 10<sup>−14</sup> and (7.0 ± 1.0) × 10<sup>−14</sup> cm<sup>3</sup> molecule<sup>−1</sup> s<sup>−1</sup>, respectively. The estimated atmospheric lifetime of CH<sub>2</sub>FCN with respect to radical attack was estimated to be 0.45 years, which, combined with the radiative efficiency of 0.042 W m<sup>−2</sup> ppb<sup>−1</sup>, implies a 100-year global warming potential of 20. FCOCN was observed as the only organic product of the Cl-atom reaction in air, consistent with a dominant role for H-abstraction. Absolute infrared cross-sections for FCOCN were determined, to assist future experiments where this molecule may be formed. Quantum calculations at the CBS-APNO//B2PLYP-D3/cc-pVTZ level indicate similar energy barriers to addition and abstraction for OH radical attack, but the looser transition state and greater opportunity for tunneling also favor abstraction in this case. |
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| ISSN: | 1420-3049 |