A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations

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dc.contributor.authorKoc, Muzaffer
dc.contributor.authorZorlu, Yunus
dc.contributor.authorIsci, Umit
dc.contributor.authorBerber, Savas
dc.contributor.authorAhsen, Vefa
dc.contributor.authorDumoulin, Fabienne
dc.date.accessioned2025-10-29T11:20:05Z
dc.date.issued2016
dc.departmentFakülteler, Temel Bilimler Fakültesi, Kimya Bölümü
dc.departmentFakülteler, Temel Bilimler Fakültesi, Fizik Bölümü
dc.description.abstractA library of five phthalonitriles, dimeric or trimeric, all connected by an aromatic spacer (catechol, resorcinol, hydroquinone, phloroglucinol and catechol with two tert-butyl moieties), was selected to be comparatively studied from a structural point of view. Hirshfeld surface analysis and DFT calculations were performed as well.
dc.identifier.doi10.1039/c5ce02261d
dc.identifier.endpage1426
dc.identifier.issn1466-8033
dc.identifier.issue8
dc.identifier.orcid0000-0002-6285-0524
dc.identifier.orcid0000-0002-0388-8338
dc.identifier.orcid0000-0003-2811-1872
dc.identifier.scopus2-s2.0-84959020164
dc.identifier.scopusqualityQ2
dc.identifier.startpage1416
dc.identifier.urihttps://doi.org/10.1039/c5ce02261d
dc.identifier.urihttps://hdl.handle.net/20.500.14854/8441
dc.identifier.volume18
dc.identifier.wosWOS:000371233200017
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofCrystengcomm
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20251020
dc.subjectIntermolecular Interactions
dc.subjectThermoelectric Properties
dc.subjectAb-Initio
dc.subjectPhthalocyanines
dc.titleA library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations
dc.typeArticle

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