DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Kuk Ki | ko |
dc.contributor.author | Kim, Junggil | ko |
dc.contributor.author | Woo, Kyung Chul | ko |
dc.contributor.author | Kim, Sang Kyu | ko |
dc.date.accessioned | 2021-09-28T01:30:07Z | - |
dc.date.available | 2021-09-28T01:30:07Z | - |
dc.date.created | 2021-09-28 | - |
dc.date.created | 2021-09-28 | - |
dc.date.issued | 2021-09 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY A, v.125, no.35, pp.7655 - 7661 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | http://hdl.handle.net/10203/287895 | - |
dc.description.abstract | The S-1-state decaying rates of the three different benzenediols, catechol, resorcinol, and hydroquinone, and their 1:1 water clusters have been state-specifically measured using the picosecond time-resolved parent ion transients obtained by the pump (excitation) and probe (ionization) scheme. The S-1 lifetime of catechol is found to be short, giving tau similar to 5.9 ps at the zero-point level. This is ascribed to the H-atom detachment from the free OH moiety of the molecule. Consistent with a previous report (J. Phys. Chem. Lett. 2013, 4, 3819-3823), the S-1 lifetime gets lengthened with low-frequency vibrational mode excitations, giving tau similar to 9.0 ps for the 116 cm(-1) band. The S-1 lifetimes at the additional vibronic modes of catechol are newly measured, showing the nonnegligible modedependent fluctuations of the tunneling rate. When catechol is complexed with water, the S-1 lifetime is enormously increased to tau similar to 1.80 ns at the zero-point level while it shows an unusual dip at the intermolecular stretching mode excitation (t similar to 1.03 ns at 146 cm(-1)). Otherwise, it is shortened monotonically with increasing the internal energy, giving t similar to 0.67 ns for the 856 cm(-1) band. Two different asymmetric or symmetric conformers of resorcinol give the respective S-1 lifetimes of 4.5 or 6.3 ns at their zero-point levels according to the estimation from our transients taken within the temporal window of 0-2.7 ns. When resorcinol is 1:1 complexed with H2O, the S-1 decaying rate is slightly accelerated for both conformers. The S-1 lifetimes of trans and cis forms of hydroquinone are measured to be more or less same, giving tau similar to 2.8 ns at the zero-point level. When H2O is complexed with hydroquinone, the S-1 decaying process is facilitated for both conformers, slightly more efficiently for the cis conformer. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | S-1-State Decay Dynamics of Benzenediols (Catechol, Resorcinol, and Hydroquinone) and Their 1:1 Water Clusters | - |
dc.type | Article | - |
dc.identifier.wosid | 000696174600007 | - |
dc.identifier.scopusid | 2-s2.0-85114609480 | - |
dc.type.rims | ART | - |
dc.citation.volume | 125 | - |
dc.citation.issue | 35 | - |
dc.citation.beginningpage | 7655 | - |
dc.citation.endingpage | 7661 | - |
dc.citation.publicationname | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.identifier.doi | 10.1021/acs.jpca.1c05448 | - |
dc.contributor.localauthor | Kim, Sang Kyu | - |
dc.contributor.nonIdAuthor | Kim, Kuk Ki | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | NONADIABATIC BIFURCATION DYNAMICS | - |
dc.subject.keywordPlus | HIGH-RESOLUTION | - |
dc.subject.keywordPlus | CONICAL INTERSECTIONS | - |
dc.subject.keywordPlus | UV PHOTODISSOCIATION | - |
dc.subject.keywordPlus | HYDROGEN DETACHMENT | - |
dc.subject.keywordPlus | RELAXATION DYNAMICS | - |
dc.subject.keywordPlus | PROTON-TRANSFER | - |
dc.subject.keywordPlus | S-1 STATE | - |
dc.subject.keywordPlus | VIBRATIONS | - |
dc.subject.keywordPlus | PHENOL | - |
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