Ab initio study of the complexation behavior of p-tert-butylcalix[5]arene derivative toward alkyl ammonium cations
DC Field | Value | Language |
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dc.contributor.author | Choe, Jong-In | - |
dc.contributor.author | Lee, Sang Hyun | - |
dc.contributor.author | Oh, Dong-Suk | - |
dc.contributor.author | Chang, Suk-Kyu | - |
dc.contributor.author | Nanbu, Shinkoh | - |
dc.date.available | 2019-05-30T08:38:23Z | - |
dc.date.issued | 2004-02 | - |
dc.identifier.issn | 0253-2964 | - |
dc.identifier.issn | 1229-5949 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/24876 | - |
dc.description.abstract | The structures and complexation energies of penta-O-tert-butyl ester 1 of p-tert-butylcalix[5]arene toward a series of alkyl ammonium guests have been optimized by ab initio HF/6-31G method. The calculated complexation efficiencies of 1 for alkyl ammonium guests have been found to be similar to the values of previously reported debutylated-calix[5]arene 2. Calculation results show that both of the calix[5]aryl derivatives have much better complexation ability toward ammonium cation without alkyl group over other alkyl ammonium guests. The structural characteristics of the calculated complexes are discussed as a function of the nature of the alkyl substiments of the ammonium guests. | - |
dc.format.extent | 5 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | KOREAN CHEMICAL SOC | - |
dc.title | Ab initio study of the complexation behavior of p-tert-butylcalix[5]arene derivative toward alkyl ammonium cations | - |
dc.type | Article | - |
dc.identifier.doi | 10.5012/bkcs.2004.25.2.190 | - |
dc.identifier.bibliographicCitation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.25, no.2, pp 190 - 194 | - |
dc.identifier.kciid | ART000942708 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.wosid | 000189291000008 | - |
dc.identifier.scopusid | 2-s2.0-1842613624 | - |
dc.citation.endPage | 194 | - |
dc.citation.number | 2 | - |
dc.citation.startPage | 190 | - |
dc.citation.title | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
dc.citation.volume | 25 | - |
dc.type.docType | Article | - |
dc.publisher.location | 대한민국 | - |
dc.subject.keywordAuthor | p-tert-butylcalix[5]arene | - |
dc.subject.keywordAuthor | alkyl ammonium ion | - |
dc.subject.keywordAuthor | molecular recognition | - |
dc.subject.keywordAuthor | ab initio HF/6-31G | - |
dc.subject.keywordPlus | MOLECULAR RECOGNITION | - |
dc.subject.keywordPlus | ESTER LIGANDS | - |
dc.subject.keywordPlus | IONS | - |
dc.subject.keywordPlus | DISCRIMINATION | - |
dc.subject.keywordPlus | ETHERS | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
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