Selective bond breaking of halothane induced by electron transfer in potassium collisions

Ana Isabel Lozano, Leticia S. Maioli, Beatriz Pamplona, J. Romero, Mónica Mendes, Filipe Ferreira Da Silva, Fábris Kossoski, Michael Probst, D. Süβ, Márcio H. F. Bettega, G. García, Paulo Limão-Vieira

Research output: Contribution to journalArticlepeer-review

Abstract

We present novel experimental results of negative ion formation of halothane (C2HBrClF3) upon electron transfer from hyperthermal neutral potassium atoms (K°) in the collision energy range of 8-1000 eV. The experiments were performed in a crossed molecular beam setup allowing a comprehensive analysis of the time-of-flight (TOF) mass negative ions fragmentation pattern and a detailed knowledge of the collision dynamics in the energy range investigated. Such TOF mass spectra data show that the only negative ions formed are Br-, Cl- and F-, with a strong energy dependence in the low-energy collision region, with the bromine anion being the most abundant and sole fragment at the lowest collision energy probed. In addition, potassium cation (K+) energy loss spectra in the forward scattering direction were obtained in a hemispherical energy analyser at different K° impact energies. In order to support our experimental findings, ab initio quantum chemical calculations have been performed to help interpret the role of the electronic structure of halothane. Potential energy curves were obtained along the C-X (X = Br, Cl) coordinate to lend support to the dissociation processes yielding anion formation.

Original languageEnglish
Pages (from-to)23837-23846
Number of pages10
JournalPhysical Chemistry Chemical Physics
Volume22
Issue number41
DOIs
Publication statusPublished - 7 Nov 2020

Fingerprint

Dive into the research topics of 'Selective bond breaking of halothane induced by electron transfer in potassium collisions'. Together they form a unique fingerprint.

Cite this