State-selective predissociation dynamics of methylamines: The vibronic and H/D effects on the conical intersection dynamics

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dc.contributor.authorAhn, Doo-Sikko
dc.contributor.authorLee, Jeong-Mookko
dc.contributor.authorChoi, Jeong-Moko
dc.contributor.authorLee, Kyoung-Seokko
dc.contributor.authorBaek, Sun-Jongko
dc.contributor.authorLee, Kun-Hyeko
dc.contributor.authorBaeck, Kyoung-Kooko
dc.contributor.authorKim, Sang-Kyuko
dc.date.accessioned2009-08-27T02:18:52Z-
dc.date.available2009-08-27T02:18:52Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2008-06-
dc.identifier.citationJOURNAL OF CHEMICAL PHYSICS, v.128, no.22-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10203/10808-
dc.description.abstractThe photodissociation dynamics of methylamines (CH(3)NH(2) and CD(3)ND(2)) on the first electronically excited state has been investigated using the velocity map ion imaging technique probing the H or D fragment. Two distinct velocity components are found in the H(D) translational energy distribution, implying the existence of two different reaction pathways for the bond dissociation. The high H(D) velocity component with the small internal energy of the radical fragment is ascribed to the N-H(D) fragmentation via the coupling of S(1) to the upper-lying S(2) repulsive potential energy surface along the N-H(D) bond elongation axis. Dissociation on the ground S(0) state prepared via the nonadiabatic dynamics at the conical intersection should be responsible for the slow H(D) fragment. Several S(1) vibronic states of methylamines including the zero-point level and n nu(9) states (n=1, 2, or 3) are exclusively chosen in order to explore the effect of the initial quantum content on the chemical reaction dynamics. The branching ratio of the fast and slow components is found to be sensitive to the initial vibronic state for the N-H bond dissociation of CH(3)NH(2), whereas it is little affected in the N-D dissociation event of CD(3)ND(2). The fast component is found to be more dominant in the translational distribution of D from CD(3)ND(2) than it is in that of H from CH(3)NH(2). The experimental result is discussed with a plausible mechanism of the conical intersection dynamics. (C) 2008 American Institute of Physics.-
dc.description.sponsorshipThis work was supported by KOSEF M10703000936- 07M0300-93610 and R01-2007-000-10766-0, SRC/ERC R11-2007-012-01002-0, Echo technopia 21 project of KIEST 102-071-606, and KISTI supercomputing center KSC-2007-S00-2010.en
dc.languageEnglish-
dc.language.isoen_USen
dc.publisherAMER INST PHYSICS-
dc.subjectPHOTOFRAGMENT TRANSLATIONAL SPECTROSCOPY-
dc.subjectINTRAMOLECULAR ORBITAL ALIGNMENT-
dc.subjectVIBRATIONALLY EXCITED AMMONIA-
dc.subjectPHOTODISSOCIATION DYNAMICS-
dc.subject(A)OVER-TILDE STATE-
dc.subjectCHEMICAL-REACTIONS-
dc.subjectMOLECULAR-OXYGEN-
dc.subjectCH3NH2-
dc.subjectPHOTOELECTRON-
dc.subjectPHOTOLYSIS-
dc.titleState-selective predissociation dynamics of methylamines: The vibronic and H/D effects on the conical intersection dynamics-
dc.typeArticle-
dc.identifier.wosid000256706300014-
dc.identifier.scopusid2-s2.0-45149101515-
dc.type.rimsART-
dc.citation.volume128-
dc.citation.issue22-
dc.citation.publicationnameJOURNAL OF CHEMICAL PHYSICS-
dc.identifier.doi10.1063/1.2937451-
dc.embargo.liftdate9999-12-31-
dc.embargo.terms9999-12-31-
dc.contributor.localauthorKim, Sang-Kyu-
dc.contributor.nonIdAuthorAhn, Doo-Sik-
dc.contributor.nonIdAuthorChoi, Jeong-Mo-
dc.contributor.nonIdAuthorLee, Kyoung-Seok-
dc.contributor.nonIdAuthorBaek, Sun-Jong-
dc.contributor.nonIdAuthorLee, Kun-Hye-
dc.contributor.nonIdAuthorBaeck, Kyoung-Koo-
dc.type.journalArticleArticle-
dc.subject.keywordPlusPHOTOFRAGMENT TRANSLATIONAL SPECTROSCOPY-
dc.subject.keywordPlusINTRAMOLECULAR ORBITAL ALIGNMENT-
dc.subject.keywordPlusVIBRATIONALLY EXCITED AMMONIA-
dc.subject.keywordPlusPHOTODISSOCIATION DYNAMICS-
dc.subject.keywordPlus(A)OVER-TILDE STATE-
dc.subject.keywordPlusCHEMICAL-REACTIONS-
dc.subject.keywordPlusMOLECULAR-OXYGEN-
dc.subject.keywordPlusCH3NH2-
dc.subject.keywordPlusPHOTOELECTRON-
dc.subject.keywordPlusPHOTOLYSIS-
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