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Low-energy Electron Attachment to Serine Conformers: Shape Resonances and Dissociation Dynamics
wangyongfeng
Author NameAffiliationE-mail
wangyongfeng none yongfeng.wang@fds.org.cn 
Abstract:
Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine (serine1, serine2, serine3, and serine4) in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine1, serine2, and serine4 and four shape resonances for serine3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.
Key words:  Serine, Conformational effect, Shape resonance, Dissociative electron attachment
FundProject:
Low-energy Electron Attachment to Serine Conformers: Shape Resonances and Dissociation Dynamics
wangyongfeng
摘要:
Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine (serine1, serine2, serine3, and serine4) in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine1, serine2, and serine4 and four shape resonances for serine3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.
关键词:  Serine, Conformational effect, Shape resonance, Dissociative electron attachment
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