Conformational studies of p-t-butylcalix(4)arene and its toluene complex
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Minn, Heon Hong | - |
dc.contributor.author | Chang, Suk-Kyu | - |
dc.contributor.author | No, Kyoung Tai | - |
dc.date.available | 2021-01-25T06:42:02Z | - |
dc.date.issued | 1989-02 | - |
dc.identifier.issn | 0040-5744 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/43677 | - |
dc.description.abstract | Theoretical investigation of the conformations of p-t-butylcalix(4)arene and its toluene complex were carried out. The hydrogen bonding potential function suitable for the cyclic hydrogen bonds of calix(4)arene was obtained by least-squares fitting to the ab initio MO calculation results. It was found that the calix(4)arene has an enough flexibility for the complexation with molecules a little larger than the pore composed of the t-butyl groups; the complex formation does not need any activation energy. During the complex formation, the conformational changes of the calix(4)arene are small. Contribution of the dispersion interaction to the complexation energy is predominant. The cyclic hydrogen bond may not induce the allosteric effect at the binding site. | - |
dc.format.extent | 13 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | SPRINGER VERLAG | - |
dc.title | Conformational studies of p-t-butylcalix(4)arene and its toluene complex | - |
dc.type | Article | - |
dc.identifier.doi | 10.1007/BF00528568 | - |
dc.identifier.bibliographicCitation | THEORETICA CHIMICA ACTA, v.75, no.3, pp 233 - 245 | - |
dc.description.isOpenAccess | N | - |
dc.identifier.wosid | A1989R937500005 | - |
dc.identifier.scopusid | 2-s2.0-0000084760 | - |
dc.citation.endPage | 245 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 233 | - |
dc.citation.title | THEORETICA CHIMICA ACTA | - |
dc.citation.volume | 75 | - |
dc.type.docType | Article | - |
dc.publisher.location | 미국 | - |
dc.subject.keywordAuthor | p-t- Butylcalix(4)arene | - |
dc.subject.keywordAuthor | Conformation | - |
dc.subject.keywordAuthor | Complex | - |
dc.subject.keywordAuthor | Inclusion | - |
dc.subject.keywordAuthor | MO | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
84, Heukseok-ro, Dongjak-gu, Seoul, Republic of Korea (06974)02-820-6194
COPYRIGHT 2019 Chung-Ang 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.