DC Field | Value | Language |
---|---|---|
dc.contributor.author | Han, Song-Hee | ko |
dc.contributor.author | Singh, N. Jiten | ko |
dc.contributor.author | Kang, Tae-Yeon | ko |
dc.contributor.author | Choi, Kyo-Won | ko |
dc.contributor.author | Choi, Sun-Young | ko |
dc.contributor.author | Baek, Sun-Jong | ko |
dc.contributor.author | Kim, Kwang S. | ko |
dc.contributor.author | Kim, Sang-Kyu | ko |
dc.date.accessioned | 2013-03-11T06:24:31Z | - |
dc.date.available | 2013-03-11T06:24:31Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2010 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.12, no.27, pp.7648 - 7653 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/10203/98501 | - |
dc.description.abstract | Aromatic pi-pi interaction in the presence of a metal atom has been investigated experimentally and theoretically with the model system of bis(eta(6)-benzene)chromium-benzene cluster (Cr(Bz)(2)-Bz) in which a free solvating benzene is non-covalently attached to the benzene moiety of Cr(Bz)(2). One-photon mass-analyzed threshold ionization (MATI) spectroscopy and first principles calculations are employed to identify the structure of Cr(Bz)(2)-Bz which adopts the parallel-displaced configuration. The decrease in ionization potential for Cr(Bz)(2)-Bz compared with Cr(Bz)(2), resulting from the increase of the cation-pi stabilization energy upon ionization, is consistent with the parallel-displaced structure of the cluster. Theoretical calculations give the detailed cluster structures with associated energetics, thus revealing the nature of pi-pi-metal or pi-pi-cation interactions at the molecular level. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.subject | BENZENE DIMER | - |
dc.subject | AB-INITIO | - |
dc.subject | CATION-PI | - |
dc.subject | PHOTODISSOCIATION SPECTROSCOPY | - |
dc.subject | MOLECULAR CLUSTERS | - |
dc.subject | DOUBLE-RESONANCE | - |
dc.subject | BASIS-SET | - |
dc.subject | COMPLEXES | - |
dc.subject | SYSTEMS | - |
dc.subject | ENERGY | - |
dc.title | Aromatic pi-pi interaction mediated by a metal atom: structure and ionization of the bis(eta(6)-benzene)chromium-benzene cluster | - |
dc.type | Article | - |
dc.identifier.wosid | 000279514500038 | - |
dc.identifier.scopusid | 2-s2.0-77954327806 | - |
dc.type.rims | ART | - |
dc.citation.volume | 12 | - |
dc.citation.issue | 27 | - |
dc.citation.beginningpage | 7648 | - |
dc.citation.endingpage | 7653 | - |
dc.citation.publicationname | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1039/b923929d | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kim, Sang-Kyu | - |
dc.contributor.nonIdAuthor | Singh, N. Jiten | - |
dc.contributor.nonIdAuthor | Kang, Tae-Yeon | - |
dc.contributor.nonIdAuthor | Baek, Sun-Jong | - |
dc.contributor.nonIdAuthor | Kim, Kwang S. | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | BENZENE DIMER | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | CATION-PI | - |
dc.subject.keywordPlus | PHOTODISSOCIATION SPECTROSCOPY | - |
dc.subject.keywordPlus | MOLECULAR CLUSTERS | - |
dc.subject.keywordPlus | DOUBLE-RESONANCE | - |
dc.subject.keywordPlus | BASIS-SET | - |
dc.subject.keywordPlus | COMPLEXES | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordPlus | ENERGY | - |
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