Effect of ring torsion on intramolecular vibrational redistribution dynamics of 1,1 '-binaphthyl and 2,2 '-binaphthyl
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lee, Nam Ki | - |
dc.contributor.author | Park, Soonyong | - |
dc.contributor.author | Yoon, Myung-Han | - |
dc.contributor.author | Kim, Zee Hwan | - |
dc.contributor.author | Kim, Seong Keun | - |
dc.date.accessioned | 2021-09-06T23:42:20Z | - |
dc.date.available | 2021-09-06T23:42:20Z | - |
dc.date.created | 2021-06-19 | - |
dc.date.issued | 2012 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/109266 | - |
dc.description.abstract | The role of ring torsion in the enhancement of intramolecular vibrational energy redistribution (IVR) in aromatic molecules was investigated by conducting excitation and dispersed fluorescence spectroscopy of 1,1'-binaphthyl (1,1'-BN) and 2,2'-BN. The dispersed fluorescence spectra of 1,1'-BN in the origin region of S-1-S-0 were well resolved, which presented 25-27 cm (1) gaps of torsional mode in the ground state. The overall profile of the dispersed spectra of 1,1'-BN is similar to that of naphthalene. In contrast, the spectra of 2,2'-BN were not resolved due to the multitude of the active torsional modes. In both cases, dissipative IVR was observed to take place with a relatively small excess vibrational energy: 237.5 cm(-1) for 1,1'-BN and 658 cm(-1) for 2,2'-BN, which clearly shows that ring torsion efficiently enhances the IVR rate. Ab initio and density functional theory calculations with medium-sized basis sets showed that the torsional potential of 1,1'-BN has a very flat minimum over the range of torsional angles from ca. 60 degrees to 120 degrees, whereas that of 2,2'-BN showed two well-defined potential minima at ca. 40 degrees and 140 degrees, in resemblance to the case of biphenyl. In this work, we propose that aromatic molecules be classified into "strong" and "weak" torsional hindrance cases: molecules with strong hindrance case show shorter torsional progressions and more effective IVR dynamics than do those with weak hindrance. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.subject | LASER-INDUCED FLUORESCENCE | - |
dc.subject | DER-WAALS COMPLEXES | - |
dc.subject | POLYCYCLIC AROMATIC-HYDROCARBONS | - |
dc.subject | ELECTRONICALLY EXCITED-STATE | - |
dc.subject | METHYL INTERNAL-ROTATION | - |
dc.subject | JET-COOLED NAPHTHALENE | - |
dc.subject | SUPERSONIC JET | - |
dc.subject | P-FLUOROTOLUENE | - |
dc.subject | AB-INITIO | - |
dc.subject | SPECTROSCOPIC PROPERTIES | - |
dc.title | Effect of ring torsion on intramolecular vibrational redistribution dynamics of 1,1 '-binaphthyl and 2,2 '-binaphthyl | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Zee Hwan | - |
dc.identifier.doi | 10.1039/c1cp22854d | - |
dc.identifier.scopusid | 2-s2.0-83455186015 | - |
dc.identifier.wosid | 000298552800048 | - |
dc.identifier.bibliographicCitation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.14, no.2, pp.840 - 848 | - |
dc.relation.isPartOf | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.citation.title | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.citation.volume | 14 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 840 | - |
dc.citation.endPage | 848 | - |
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 | LASER-INDUCED FLUORESCENCE | - |
dc.subject.keywordPlus | DER-WAALS COMPLEXES | - |
dc.subject.keywordPlus | POLYCYCLIC AROMATIC-HYDROCARBONS | - |
dc.subject.keywordPlus | ELECTRONICALLY EXCITED-STATE | - |
dc.subject.keywordPlus | METHYL INTERNAL-ROTATION | - |
dc.subject.keywordPlus | JET-COOLED NAPHTHALENE | - |
dc.subject.keywordPlus | SUPERSONIC JET | - |
dc.subject.keywordPlus | P-FLUOROTOLUENE | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | SPECTROSCOPIC PROPERTIES | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
(02841) 서울특별시 성북구 안암로 14502-3290-1114
COPYRIGHT © 2021 Korea University. All Rights Reserved.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.