Spectroscopic and structural properties of bisphthalonitriles with O/S/SO2 grafting: Comparative theoretical and experimental studies

Basit Öğe Kaydı
dc.contributor.authorEkineker, Gulcin
dc.contributor.authorPilet, Guillaume
dc.contributor.authorBerber, Savas
dc.contributor.authorAhsen, Vefa
dc.contributor.authorDumoulin, Fabienne
dc.contributor.authorOnal, Emel
dc.date.accessioned2025-10-29T11:24:19Z
dc.date.issued2016
dc.departmentFakülteler, Temel Bilimler Fakültesi, Kimya Bölümü
dc.departmentFakülteler, Temel Bilimler Fakültesi, Fizik Bölümü
dc.description.abstractThree bisphthalonitriles with different grafting functions (O/S/SO2) have been selected for their future interest in the preparation of dimeric phthalocyanines with tailored properties. The bisphthalonitrile derivatives have been prepared and comparatively characterized. Their complete structural properties were investigated and their XRD-determined structures were compared with their DFT-optimized ones. Molecular orbital levels and energy gaps were also determined and analysed. The sulfonyl (SO2) function induces different behaviour compared to the S and O grafting which are more similar. (C) 2016 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.molstruc.2016.05.094
dc.identifier.endpage270
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.orcid0000-0002-0388-8338
dc.identifier.scopus2-s2.0-84975467853
dc.identifier.scopusqualityQ1
dc.identifier.startpage261
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.05.094
dc.identifier.urihttps://hdl.handle.net/20.500.14854/9871
dc.identifier.volume1123
dc.identifier.wosWOS:000381833100031
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20251020
dc.subjectBisphthalonitrile
dc.subjectComparative characterization
dc.subjectCrystal structure
dc.subjectDFT calculations
dc.titleSpectroscopic and structural properties of bisphthalonitriles with O/S/SO2 grafting: Comparative theoretical and experimental studies
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
Temel Bilimler Fakültesi Koleksiyonu