Ionic effects on the proton transfer mechanism in aqueous solutions
DC Field | Value | Language |
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dc.contributor.author | Joung, Joonyoung F. | - |
dc.contributor.author | Kim, Sangin | - |
dc.contributor.author | Park, Sungnam | - |
dc.date.accessioned | 2021-09-03T00:12:57Z | - |
dc.date.available | 2021-09-03T00:12:57Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2017-10-07 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/81931 | - |
dc.description.abstract | Proton dissociation (PD) reactions of weak acids and proton transfer (PT) processes in aqueous solutions are strongly influenced by ions. However, a detailed molecular picture that describes how ions affect the rates of PD and PT processes is still missing. Here, we utilize time-resolved fluorescence spectroscopy combined with quantum chemical calculations to investigate the excited-state proton transfer (ESPT) reaction of a photoacid in aqueous metal chloride solutions. The activation energy (E-a) for the ESPT of the photoacid increases with increasing charge density of cations (rho(cat)). The local hydrogen bond (H-bond) structure of the photoacid in the ionic hydration shell is strongly related to both the E-a and the rho(cat). Most importantly, the proton's positive charge in the transition state, which is delocalized through the H-bonded water channel, is more destabilized with an increase in the rho(cat), leading to a higher E-a. Our experimental and computational results allow us to elucidate the underlying mechanism for the ionic effect on PD and the subsequent PT process at the molecular level. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.subject | ACID-BASE REACTIONS | - |
dc.subject | KETOSTEROID ISOMERASE | - |
dc.subject | ELEMENTARY STEPS | - |
dc.subject | WATER DYNAMICS | - |
dc.subject | AB-INITIO | - |
dc.subject | STATE | - |
dc.subject | DISSOCIATION | - |
dc.subject | ULTRAFAST | - |
dc.subject | SOLVENT | - |
dc.subject | FLUCTUATIONS | - |
dc.title | Ionic effects on the proton transfer mechanism in aqueous solutions | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Park, Sungnam | - |
dc.identifier.doi | 10.1039/c7cp04392a | - |
dc.identifier.scopusid | 2-s2.0-85030677138 | - |
dc.identifier.wosid | 000412271600029 | - |
dc.identifier.bibliographicCitation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.37, pp.25509 - 25517 | - |
dc.relation.isPartOf | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.citation.title | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.citation.volume | 19 | - |
dc.citation.number | 37 | - |
dc.citation.startPage | 25509 | - |
dc.citation.endPage | 25517 | - |
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 | ACID-BASE REACTIONS | - |
dc.subject.keywordPlus | KETOSTEROID ISOMERASE | - |
dc.subject.keywordPlus | ELEMENTARY STEPS | - |
dc.subject.keywordPlus | WATER DYNAMICS | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | STATE | - |
dc.subject.keywordPlus | DISSOCIATION | - |
dc.subject.keywordPlus | ULTRAFAST | - |
dc.subject.keywordPlus | SOLVENT | - |
dc.subject.keywordPlus | FLUCTUATIONS | - |
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