DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Heesung | ko |
dc.contributor.author | Kim, Sang Kyu | ko |
dc.date.accessioned | 2020-10-13T06:55:29Z | - |
dc.date.available | 2020-10-13T06:55:29Z | - |
dc.date.created | 2020-08-13 | - |
dc.date.issued | 2020-09 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.22, no.35, pp.19713 - 19717 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/10203/276524 | - |
dc.description.abstract | The S-H bond dissociation dynamics of CH3SH have been investigated for the S-1-S(0)transition mediated by either the S-H stretching (2608 cm(-1)) or CH(3)symmetric stretching (2951 cm(-1)) mode excitation in the S(0)state. The S-H and C-S bond extensions are strongly coupled in the S(1)state through the S-1/S(2)same-symmetry conical intersection, giving the C-S stretching mode excitation of the CH3S fragment during the prompt S-H bond rupture on S-1. In the IR + UV transition mediated by the S-H stretching mode, the vertical transition seems to access the Franck-Condon region where the S-H bond is shortened while the coupling to the C-S bond stretching becomes stronger compared to the case of one-photon UV transition, indicating that the intramolecular vibrational redistribution (IVR) is little activated in S-0. When the IR + UV excitation is mediated by the CH(3)symmetric stretching mode, on the other hand, the Franck-Condon region in S(1)encompasses the enlarged molecular structures with respect to both S-H and C-S bond extensions, presumably due to the rapid IVR in S(0)prior to the vertical transition. This leads to the inverted vibrational state population of the C-S bond stretching mode of the CH3S fragment. This work demonstrates that the reaction dynamics upon the IR + UV excitation of CH3SH is highly mode dependent and the energy disposal dynamics could be controlled by the manipulation of the Franck-Condon region through the particular vibrational-state mediation in the ground state, shedding new light on the structure-dynamics relationship. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.title | Vibration Mediated Photodissociation Dynamics of CH3SH: Manipulation of the Dynamic Energy Disposal into Products | - |
dc.type | Article | - |
dc.identifier.wosid | 000571344300026 | - |
dc.identifier.scopusid | 2-s2.0-85091191643 | - |
dc.type.rims | ART | - |
dc.citation.volume | 22 | - |
dc.citation.issue | 35 | - |
dc.citation.beginningpage | 19713 | - |
dc.citation.endingpage | 19717 | - |
dc.citation.publicationname | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1039/d0cp03575k | - |
dc.contributor.localauthor | Kim, Sang Kyu | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | CONICAL INTERSECTIONS | - |
dc.subject.keywordPlus | 193 NM | - |
dc.subject.keywordPlus | METHANETHIOL | - |
dc.subject.keywordPlus | SURFACES | - |
dc.subject.keywordPlus | BOND | - |
dc.subject.keywordPlus | RECONSTRUCTION | - |
dc.subject.keywordPlus | DECOMPOSITION | - |
dc.subject.keywordPlus | PHOTOLYSIS | - |
dc.subject.keywordPlus | SULFIDE | - |
dc.subject.keywordPlus | REGION | - |
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