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Photofragmentation dynamics of N,N-dimethylformamide following excitation at 193 nm

Research output: Contribution to journalArticle

  • M Laura Lipciuc
  • Sara H Gardiner
  • Tolga N V Karsili
  • Jason W L Lee
  • David Heathcote
  • Michael N R Ashfold
  • Claire Vallance
Original languageEnglish
Article number013941
Number of pages11
JournalJournal of Chemical Physics
Volume147
Journal issue1
Early online date26 May 2017
DOIs
StatePublished - 7 Jul 2017

Abstract

N,N-dimethylformamide, HCON(CH3)2, is a useful model compound for investigating the peptide bond photofragmentation dynamics. We report data from a comprehensive experimental and theoretical study into the photofragmentation dynamics of N,N-dimethylformamide in the gas phase at 193 nm. Through a combination of velocity-map imaging and hydrogen atom Rydberg tagging photofragment translational spectroscopy we have identified two primary fragmentation channels, namely, fission of the N–CO “peptide” bond and N–CH3 bond fission leading to the loss of CH3. The possible fragmentation channels leading to the observed products are rationalised with recourse to CASPT2 calculations of the ground and first few excited-state potential energy curves along the relevant dissociation coordinates, and the results are compared with the data from previous experimental and theoretical studies on the same system.

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    Rights statement: This is the author accepted manuscript (AAM). The final published version (version of record) is available online via AIP at http://aip.scitation.org/doi/full/10.1063/1.4983704. Please refer to any applicable terms of use of the publisher.

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  • Full-text PDF (final published version)

    Rights statement: This is the final published version of the article (version of record). It first appeared online via AIP at http://aip.scitation.org/doi/full/10.1063/1.4983704. Please refer to any applicable terms of use of the publisher.

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