{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1363951794306353152.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1021/ol1006168"}},{"identifier":{"@type":"URI","@value":"https://pubs.acs.org/doi/pdf/10.1021/ol1006168"}},{"identifier":{"@type":"PMID","@value":"20402525"}}],"dc:title":[{"@value":"Theoretical Studies on the Structures and Strain Energies of Cycloparaphenylenes"}],"description":[{"notation":[{"@value":"The structures and strain energies of cycloparaphenylenes (CPPs) have been determined by DFT calculation at the B3LYP/6-31G(d) level of theory. Fifteen stable conformations of [12]CPP were found as local minimum structures. It was also found that benzene rings of [12]CPP can rotate rather freely at room temperature. The strain energies of [n]CPP (n = 6-20) were estimated on the basis of the homodesmotic reaction using CPP, biphenyl, and p-terphenyl. It was also found that CPPs have higher strain energy in comparison to cycloparaphenyleneacetylenes (CPPAs)."}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1383951794306353154","@type":"Researcher","foaf:name":[{"@value":"Yasutomo Segawa"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1383951794306353153","@type":"Researcher","foaf:name":[{"@value":"Haruka Omachi"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1383951794306353152","@type":"Researcher","foaf:name":[{"@value":"Kenichiro Itami"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Graduate School of Science, Nagoya University, Nagoya 464-8602, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"15237060"},{"@type":"EISSN","@value":"15237052"}],"prism:publicationName":[{"@value":"Organic Letters"}],"dc:publisher":[{"@value":"American Chemical Society (ACS)"}],"prism:publicationDate":"2010-04-19","prism:volume":"12","prism:number":"10","prism:startingPage":"2262","prism:endingPage":"2265"},"reviewed":"false","url":[{"@id":"https://pubs.acs.org/doi/pdf/10.1021/ol1006168"}],"createdAt":"2010-04-19","modifiedAt":"2023-03-16","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=Models,%20Chemical","dc:title":"Models, Chemical"},{"@id":"https://cir.nii.ac.jp/all?q=Molecular%20Structure","dc:title":"Molecular Structure"},{"@id":"https://cir.nii.ac.jp/all?q=Benzene%20Derivatives","dc:title":"Benzene Derivatives"},{"@id":"https://cir.nii.ac.jp/all?q=Thermodynamics","dc:title":"Thermodynamics"},{"@id":"https://cir.nii.ac.jp/all?q=Computer%20Simulation","dc:title":"Computer Simulation"}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1050564285802716416","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"The Raman fingerprint of cyclic conjugation: the case of the stabilization of cations and dications in cycloparaphenylenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360002214423454720","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Size‐Selective Encapsulation of C<sub>60</sub> by [10]Cycloparaphenylene: Formation of the Shortest Fullerene‐Peapod"}]},{"@id":"https://cir.nii.ac.jp/crid/1360002216612794752","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"A Theoretical Study on the Strain Energy of Carbon 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