DC Field | Value | Language |
---|---|---|
dc.contributor.author | Maity, S | - |
dc.contributor.author | Dey, A | - |
dc.contributor.author | Patwari, GN | - |
dc.contributor.author | Karthikeyan, S | - |
dc.contributor.author | Kim, KS | - |
dc.date.accessioned | 2016-04-01T02:43:27Z | - |
dc.date.available | 2016-04-01T02:43:27Z | - |
dc.date.created | 2010-11-23 | - |
dc.date.issued | 2010-10-28 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.other | 2010-OAK-0000021870 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/25654 | - |
dc.description.abstract | Two distinct isomers for the binary complex between phenylacetylene and methylamine were observed. The first complex is characterized by the presence of a C-H center dot center dot center dot N hydrogen bond between the acetylenic C-H group and the N atom of methylamine. In the second complex the N-H group of methylamine interacts with the pi electron density of the benzene ring accompanied by a peripheral interaction between the methyl C-H group and the pi electron density of the C C bond. Stabilization energies and Gibbs free energies at the complete basis set (CBS) limit of the coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)] suggest that while the C-H center dot center dot center dot N hydrogen bonded complex is the global minimum, the N-H center dot center dot center dot pi hydrogen bonded complex is a high energy local minimum. The formation of the N-H center dot center dot center dot pi complex could be related to kinetic trapping or higher accessibility. Comparison of the laser induced fluorescence (LIF) excitation and the one-color-resonant two-photon ionization (1C-R2PI) spectra suggests that formation of C-H center dot center dot center dot N hydrogen bonding leads to fluorescence quenching in phenylacetylene, most probably due to dipolar coupling in the excited state. The binary complex between the phenylacetylene and methylamine shows interesting isomer-dependent fluorescent properties. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.relation.isPartOf | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.subject | ULTRAVIOLET DOUBLE-RESONANCE | - |
dc.subject | STRETCHING VIBRATIONS | - |
dc.subject | MOLECULAR CLUSTERS | - |
dc.subject | BENZENE DIMER | - |
dc.subject | WATER | - |
dc.subject | ENERGIES | - |
dc.subject | SYSTEMS | - |
dc.subject | DESIGN | - |
dc.subject | ORIGIN | - |
dc.subject | AMINES | - |
dc.title | A Combined Spectroscopic and ab Initio Investigation of Phenylacetylene-Methylamine Complex. Observation of sigma and pi Type Hydrogen-Bonded Configurations and Fluorescence Quenching by Weak C-H center dot center dot center dot N Hydrogen Bonding | - |
dc.type | Article | - |
dc.contributor.college | 화학과 | - |
dc.identifier.doi | 10.1021/JP105439Y | - |
dc.author.google | Maity, S | - |
dc.author.google | Dey, A | - |
dc.author.google | Patwari, GN | - |
dc.author.google | Karthikeyan, S | - |
dc.author.google | Kim, KS | - |
dc.relation.volume | 114 | - |
dc.relation.issue | 42 | - |
dc.relation.startpage | 11347 | - |
dc.relation.lastpage | 11352 | - |
dc.contributor.id | 10051563 | - |
dc.relation.journal | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.relation.index | SCI급, SCOPUS 등재논문 | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | JOURNAL OF PHYSICAL CHEMISTRY A, v.114, no.42, pp.11347 - 11352 | - |
dc.identifier.wosid | 000283106200042 | - |
dc.date.tcdate | 2019-02-01 | - |
dc.citation.endPage | 11352 | - |
dc.citation.number | 42 | - |
dc.citation.startPage | 11347 | - |
dc.citation.title | JOURNAL OF PHYSICAL CHEMISTRY A | - |
dc.citation.volume | 114 | - |
dc.contributor.affiliatedAuthor | Kim, KS | - |
dc.identifier.scopusid | 2-s2.0-77958492703 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 11 | - |
dc.description.scptc | 11 | * |
dc.date.scptcdate | 2018-05-121 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | ULTRAVIOLET DOUBLE-RESONANCE | - |
dc.subject.keywordPlus | STRETCHING VIBRATIONS | - |
dc.subject.keywordPlus | MOLECULAR CLUSTERS | - |
dc.subject.keywordPlus | BENZENE DIMER | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordPlus | ORIGIN | - |
dc.subject.keywordPlus | WATER | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
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