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
DC Field | Value | Language |
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dc.contributor.author | Zhuang, Bo | - |
dc.contributor.author | Fujitsuka, Mamoru | - |
dc.contributor.author | Tojo, Sachiko | - |
dc.contributor.author | Cho, Dae Won | - |
dc.contributor.author | Choi, Jungkweon | - |
dc.contributor.author | Majima, Tetsuro | - |
dc.date.accessioned | 2021-09-02T04:01:25Z | - |
dc.date.available | 2021-09-02T04:01:25Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2018-11-08 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/71868 | - |
dc.description.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. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | DENSITY-FUNCTIONAL METHODS | - |
dc.subject | DIIMIDE RADICAL-ANIONS | - |
dc.subject | NAPHTHALENE DIIMIDES | - |
dc.subject | SPECTRA | - |
dc.subject | ABSORPTION | - |
dc.subject | SEPARATION | - |
dc.subject | MOLECULES | - |
dc.subject | STATES | - |
dc.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 | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Cho, Dae Won | - |
dc.identifier.doi | 10.1021/acs.jpca.8b08310 | - |
dc.identifier.scopusid | 2-s2.0-85056400321 | - |
dc.identifier.wosid | 000449889100005 | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY A, v.122, no.44, pp.8738 - 8744 | - |
dc.relation.isPartOf | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.citation.volume | 122 | - |
dc.citation.number | 44 | - |
dc.citation.startPage | 8738 | - |
dc.citation.endPage | 8744 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.subject.keywordPlus | DENSITY-FUNCTIONAL METHODS | - |
dc.subject.keywordPlus | DIIMIDE RADICAL-ANIONS | - |
dc.subject.keywordPlus | NAPHTHALENE DIIMIDES | - |
dc.subject.keywordPlus | SPECTRA | - |
dc.subject.keywordPlus | ABSORPTION | - |
dc.subject.keywordPlus | SEPARATION | - |
dc.subject.keywordPlus | MOLECULES | - |
dc.subject.keywordPlus | STATES | - |
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