Literature DB >> 33998788

Electron Driven Reactions in Tetrafluoroethane: Positive and Negative Ion Formation.

João Pereira-da-Silva1, Rodrigo Rodrigues1, João Ramos1, Carlos Brígido1, Alexandru Botnari1, Miguel Silvestre1, João Ameixa1, Mónica Mendes1, Fábio Zappa2, Stephen J Mullock3, João M M Araújo4, Márcio T do N Varella5, Lucas M Cornetta6, Filipe Ferreira da Silva1.   

Abstract

In the search for alternatives to chlorine-containing gases, tetrafluoroethane, CF3CH2F (R134a), a widely used refrigerant gas, has been recognized as a promising substitute for dichlorodifluoromethane, CCl2F2 (R12). When R12 is replaced by R134a, the global warming potential drops from 8100 to 1430, the ozone depletion potential changes from 1 to 0, and the atmospheric lifetime decreases from 100 to 14 years. Electron interactions in the gas phase play a fundamental role in the atmospheric sciences. Here, we present a detailed study on electron-driven fragmentation pathways of CF3CH2F, in which we have investigated processes induced by both electron ionization and electron attachment. The measurements allow us to report the ion efficiency curves for ion formation in the energy range of 0 up to 25 eV. For positive ion formation, R134a dissociates into a wide assortment of ions, in which CF3+ is observed as the most abundant out of seven ions with a relative intensity above 2%. The results are supported by quantum chemical calculations based on bound state techniques, electron-impact ionization models, and electron-molecule scattering simulations, showing a good agreement. Moreover, the experimental first ionization potential was found at 13.10 ± 0.17 eV and the second at around 14.25 eV. For negative ion formation, C2F3- was detected as the only anion formed, above 8.3 eV. This study demonstrates the role of electrons in the dissociation of R134a, which is relevant for an improvement of the refrigeration processes as well as in atmospheric chemistry and plasma sciences.

Entities:  

Year:  2021        PMID: 33998788     DOI: 10.1021/jasms.1c00057

Source DB:  PubMed          Journal:  J Am Soc Mass Spectrom        ISSN: 1044-0305            Impact factor:   3.109


  1 in total

1.  Kinetic and thermodynamic investigations on the HF elimination reactions from neutral and ionized CF3CH2F.

Authors:  Víctor S A Bonfim; Leonardo Baptista; Daniel A B Oliveira; Diego E Honda; Antônio C F Santos
Journal:  J Mol Model       Date:  2022-09-12       Impact factor: 2.172

  1 in total

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