Electron impact ionization of 1-butanol: I. Mass spectra and partial ionization cross sections
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da Silva, D.G.M.
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AbstractExperimental measurements of the cations created through electron impact ionization have been undertaken for the primary isomer of butanol, using a Hiden Quadrupole Mass Spectrometer (EPIC 300) with a mass resolution of 1 amu. The mass spectrum recorded at an incident electron energy of 70 eV, normalized and placed on an absolute scale, reveals the relative probability of forming 76 different cations of butanol by either direct ionization or dissociative ionization. Individual partial ionization cross sections (PICS) for the 38 main cationic fragments, measured at electron energies in the range 10–100 eV, are also reported for the first time in this work.
CitationPires, WAD., Nixon, KL., Ghosh, S., Amorim, RAA., Neves, RFC., Duque, HV., da Silva, DGM., Jones, DB., Brunger, MJ., Lopes, MCA. (2018) 'Electron impact ionization of 1-butanol: I. Mass spectra and partial ionization cross sections' International Journal of Mass Spectrometry, 430 pp. 158-167 doi: 10.1016/j.ijms.2018.03.011
JournalInternational Journal of Mass Spectrometry
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Electron impact ionization of 1-butanol: II. Total ionization cross sections and appearance energiesGhosh, S.; Nixon, K.L.; Pires, W.A.D.; Amorim, R.A.A.; Neves, R.F.C.; Duque, H.V.; da Silva, D.G.M.; Jones, D.B.; Blanco, F.; Garcia, G.; et al. (Elsevier, 2018-04-10)Experimental and theoretical data on total ionization cross sections for electron scattering by 1-butanol molecules in the energy range 10–100 eV are reported in this work. The experimental data were obtained from the addition of partial ionization cross sections (PICS) of 38 cationic fragments registered using a Hiden Analytical quadrupole mass spectrometer (EPIC 300), which are reported in a companion paper (Pires et al., 2018). The theoretical data were generated using the Binary-Encounter-Bethe and independent atom model plus screening corrected additivity rule approaches. Additionally, we also report the appearance energies (AEs) and Wannier exponents for 36 of the 38 main cationic fragments observed in our experiments. Our experimental TICS data are typically found to be in good agreement with our theoretical results, and with other experimental and theoretical TICS data of 1-butanol currently available in the literature. Agreement of our AEs and the previous data, again where a comparison is possible, is also found to be satisfactory.
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