DC Field | Value | Language |
---|---|---|
dc.contributor.author | You Hyun Sik | - |
dc.contributor.author | Han Songhee | - |
dc.contributor.author | Lim Jean Sun | - |
dc.contributor.author | Kim Sangkyu | - |
dc.date.accessioned | 2013-03-29T16:42:54Z | - |
dc.date.available | 2013-03-29T16:42:54Z | - |
dc.date.created | 2013-02-06 | - |
dc.date.issued | 2012-10-17 | - |
dc.identifier.citation | 대한화학회 제110회(추계) 총회 및 학술발표회, v.52, no.10, pp.41 - 41 | - |
dc.identifier.uri | http://hdl.handle.net/10203/172228 | - |
dc.description.abstract | The experimental techniques of velocity-map ion imaging and resonance-enhanced multiphoton ionization spectroscopy have been used to investigate the dynamics of D atom loss processes from gas phase ortho-halogenated thiophenol-(d1), following photolysis at many wavelengths within the range of vibronic bands of S1 electronic state and further higher excited state. In case of 2-fluorothiophenol-(d1), a dependence of the relative yields of two reaction channels ( ground, X and the first excited state, A of 2-FC6H4S∙ radical ) is observed within S1 (ππ*) region. We’ve expected that molecular planarity by intramolecular hydrogen bonding of F∙∙∙D affects bifurcation dynamics of the second CI, considering previous finding. And relative contribution of S1 (ππ*) & S2 (nσ*) electronic states is investigated along energetics. To shed light on this behavior, potential energy surface (PES) along related reaction coordinates (SD elongation & CSD bending angle & CCSD torsion angle), vertical excitation energy, Frank-Condon simulation and radical energetics are performed using CASPT2, SA-CASSCF, TD-DFT levels. According to chemical intuition, we are doing experiment on effects strength of hydrogen bond upon fragmentation mechanism using 2-chlorothiophenol-(d1). Comparison electronic spectrum of S1 (ππ*) state and branching ratio with the results of 2-fluorothiophenol-(d1) will serve to highlight intramolecular hydrogen bonding effect on photodissociation dynamics. | - |
dc.language | Korean | - |
dc.publisher | (사)대한화학회 | - |
dc.title | UV Photolysis OF ortho-halogenated thiophenol : The role of hydrogen bonding in photodissociation dynamics | - |
dc.type | Conference | - |
dc.type.rims | CONF | - |
dc.citation.volume | 52 | - |
dc.citation.issue | 10 | - |
dc.citation.beginningpage | 41 | - |
dc.citation.endingpage | 41 | - |
dc.citation.publicationname | 대한화학회 제110회(추계) 총회 및 학술발표회 | - |
dc.identifier.conferencecountry | KO | - |
dc.identifier.conferencelocation | 부산 벡스코 | - |
dc.contributor.localauthor | Kim Sangkyu | - |
dc.contributor.nonIdAuthor | You Hyun Sik | - |
dc.contributor.nonIdAuthor | Han Songhee | - |
dc.contributor.nonIdAuthor | Lim Jean Sun | - |
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