Influence of Charge Distribution on Structural Changes of Aromatic Imide Derivatives upon One-Electron Reduction Revealed by Time-Resolved Resonance Raman Spectroscopy during Pulse Radiolysis
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Title
- Influence of Charge Distribution on Structural Changes of Aromatic Imide Derivatives upon One-Electron Reduction Revealed by Time-Resolved Resonance Raman Spectroscopy during Pulse Radiolysis
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Author(s)
- Bo Zhuang; Mamoru Fujitsuka; Sachiko Tojo; Dae Won Cho; Jungkweon Choi; Tetsuro Majima
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Publication Date
- 2018-11
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Journal
- JOURNAL OF PHYSICAL CHEMISTRY A, v.122, no.44, pp.8738 - 8744
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Publisher
- AMER CHEMICAL SOC
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Abstract
- Structural changes of aromatic imides upon one-electron reduction are investigated by time-resolved resonance Raman spectroscopy during pulse radiolysis. Significant downshifts are observed for both the aromatic ring stretching and carbonyl stretching modes, which are related to a reduction of the bond order and increase of the charge density on these moieties. For three aromatic imides, i.e., 1,8-naphthalene imide (1,8-NI), 2,3-naphthalene imide (2,3-NI), and naphthalene diimide (NDI), the extent of structural changes is found to follow the order: 2,3-NI > 1,8-NI > NDI, reflecting the influence of charge distribution on molecular structure. To further investigate this phenomenon, a series of homologous NDI derivatives with a substituted phenyl group at the imide position are studied. The Raman peaks between 1550 and 1600 cm-1, which are assigned to aromatic stretching vibrations of the NDI moieties, are found to be sensitive to the charge distribution: stronger electron-withdrawing substituents result in these peaks shifting to slightly higher wavenumbers. As supported by a spin density analysis, despite the fact that the added charge is mostly localized on the NDI moiety, in the presence of an electron-withdrawing group, the subtle charge is likely to delocalize on the phenyl fragment, alleviating the effect of one-electron reduction on the molecular structure. (c) 2018 American Chemical Society
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URI
- https://pr.ibs.re.kr/handle/8788114/5062
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DOI
- 10.1021/acs.jpca.8b08310
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ISSN
- 1089-5639
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Appears in Collections:
- Center for Nanomaterials and Chemical Reactions(나노물질 및 화학반응 연구단) > 1. Journal Papers (저널논문)
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