Sulfanyl vs sulfonyl, 4,5-vs 3,6-position. How structural variations in phthalonitrile substitution affect their infra-red, crystallographic and Hirshfeld surface analyses

Basit Öğe Kaydı
dc.contributor.authorOnal, Emel
dc.contributor.authorOkyay, Tugba Muhlise
dc.contributor.authorEkineker, Gulcin
dc.contributor.authorIsci, Umit
dc.contributor.authorAhsen, Vefa
dc.contributor.authorBerber, Savas
dc.contributor.authorZorlu, Yunus
dc.date.accessioned2025-10-29T11:24:19Z
dc.date.issued2018
dc.departmentFakülteler, Temel Bilimler Fakültesi, Kimya Bölümü
dc.departmentFakülteler, Temel Bilimler Fakültesi, Fizik Bölümü
dc.description.abstractTwo structural factors (sulfonyl vs sulfanyl, 4,5- vs 3,6- position) of phthalonitriles - which are used in several material-related applications - have been comparatively investigated in terms of crystallographic properties and Hirshfeld surface analyses. The unexpected FT-IR spectra of the sulfonyl-substituted derivatives have been supported by DFT calculations.
dc.identifier.doi10.1016/j.molstruc.2017.10.069
dc.identifier.endpage319
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.orcid0000-0002-6285-0524
dc.identifier.orcid0000-0003-2811-1872
dc.identifier.orcid0000-0002-0388-8338
dc.identifier.scopus2-s2.0-85033402751
dc.identifier.scopusqualityQ1
dc.identifier.startpage310
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2017.10.069
dc.identifier.urihttps://hdl.handle.net/20.500.14854/9864
dc.identifier.volume1155
dc.identifier.wosWOS:000424717800033
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
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.subjectPhthalonitrile
dc.subjectSulfonyl
dc.subjectSulfanyl
dc.subjectSubstitution pattern
dc.subjectStructural analysis
dc.subjectIR spectroscopy
dc.subjectHirshfeld analysis
dc.titleSulfanyl vs sulfonyl, 4,5-vs 3,6-position. How structural variations in phthalonitrile substitution affect their infra-red, crystallographic and Hirshfeld surface analyses
dc.typeArticle

Dosyalar

Koleksiyon

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