Photofragmentation dynamics of <i>N</i>,<i>N</i>-dimethylformamide following excitation at 193 nm
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- M. Laura Lipciuc
- University of Oxford 1 Department of Chemistry, Chemistry Research Laboratory, , 12 Mansfield Road, Oxford OX1 3TA, United Kingdom
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- Sara H. Gardiner
- University of Oxford 1 Department of Chemistry, Chemistry Research Laboratory, , 12 Mansfield Road, Oxford OX1 3TA, United Kingdom
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- Tolga N. V. Karsili
- University of Bristol 2 School of Chemistry, , Cantocks Close, Bristol BS8 1TS, United Kingdom
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- Jason W. L. Lee
- University of Oxford 1 Department of Chemistry, Chemistry Research Laboratory, , 12 Mansfield Road, Oxford OX1 3TA, United Kingdom
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- David Heathcote
- University of Oxford 1 Department of Chemistry, Chemistry Research Laboratory, , 12 Mansfield Road, Oxford OX1 3TA, United Kingdom
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- Michael N. R. Ashfold
- University of Bristol 2 School of Chemistry, , Cantocks Close, Bristol BS8 1TS, United Kingdom
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- Claire Vallance
- University of Oxford 1 Department of Chemistry, Chemistry Research Laboratory, , 12 Mansfield Road, Oxford OX1 3TA, United Kingdom
書誌事項
- 公開日
- 2017-05-26
- DOI
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- 10.1063/1.4983704
- 公開者
- AIP Publishing
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説明
<jats:p>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.</jats:p>
収録刊行物
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 147 (1), 2017-05-26
AIP Publishing