Phosphorus-nitrogen compounds. Part 72. Bisspiro(N/N)cyclotri-phosphazenes with 4-chlorobenzyl and ferrocenyl pendant arms: Synthesis, structural characterization, dye-sensitized solar cell fabrication and antituberculosis activity studies

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dc.contributor.authorBerberoğlu, İpek
dc.contributor.authorCemaloğlu, Reşit
dc.contributor.authorBinici, Arzu
dc.contributor.authorYakut, Mehtap
dc.contributor.authorAsmafiliz, Nuran
dc.contributor.authorKılıç, Zeynel
dc.contributor.authorGüzel, Remziye
dc.contributor.orcid0000-0002-2802-0754
dc.contributor.orcid0000-0001-7470-4156
dc.contributor.orcid0000-0002-9335-4101
dc.date.accessioned2024-04-24T17:56:10Z
dc.date.available2024-04-24T17:56:10Z
dc.date.issued2024
dc.departmentDicle Üniversitesi, Ziya Gökalp Eğitim Fakültesi, Matematik ve Fen Bilimleri Eğitimi Bölümüen_US
dc.description.abstractIn this study, dichlorobisspiro(N/N)cyclotriphosphazenes with 4-chlorobenzyl and ferrocenyl-pendant arms were prepared to investigate their spectroscopic and crystallographic characterizations, and antituberculosis activities. The chlorine replacement reactions of tetrachloro(4-chlorobenzyl)spiro(N/N)cyclotri-phosphazenes with ferrocenyldiamines (4 and 5) lead to dichlorobispiro(N/N)cyclotriphosphazenes, containing unsymmetrical diaminospirorings. All cyclotriphosphazenes were characterized by mass spectrometry, FTIR and 31P NMR spectroscopies. Two different stereogenic P-centers are present in the unsymmetrically substituted inorganic-organic fused hybrid rings. These compounds may be in the form of racemic mixtures (RR'/SS' and RS'/SR'). The molecular and crystal structures of trans (6a and 7a) and cis (6b and 7b) isomers were elucidated by single-crystal X-ray structural crystallography. The space groups of trans-6a, cis-6b, trans-7a and cis-7b are centrosymmetric P -1, P bca, P 21/n and P bca, respectively. Therefore, the crystal lattices contain both enantiomers. The absolute configurations of P2 atoms of 6a, 6b, 7a and 7b are R, R, S and S, respectively. It was determined that the most effective compound was 6b against Mycobacterium tuberculosis H37Rv (ATCC 27,294) strain among the phosphazenes 6a, 6b and 10b. Among the compounds, In the reversible cyclic voltammograms of ferrocenyl-dispirophosphazenes, only one oxidation–reduction wave was observed. The HOMO energy values of the compounds were figured out using the oxidation potential (Eox). Whereas, the LUMO energy values were figured out from the optical band gap values using Tauc plots. In addition, it was determined that the most effective compound that can be used in dye-sensitized solar cells (DSSCs) is cis-11b.en_US
dc.identifier.citationBerberoğlu, İ., Cemaloğlu, R., Binici, A., Yakut, M., Asmafiliz, N., Kılıç, Z. ve diğerleri. (2024). Phosphorus-nitrogen compounds. Part 72. Bisspiro(N/N)cyclotri-phosphazenes with 4-chlorobenzyl and ferrocenyl pendant arms: Synthesis, structural characterization, dye-sensitized solar cell fabrication and antituberculosis activity studies. Journal of Molecular Structure, 1310, 1-14.
dc.identifier.doi10.1016/j.molstruc.2024.138305
dc.identifier.issn0022-2860
dc.identifier.scopus2-s2.0-85190294162
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2024.138305
dc.identifier.urihttps://hdl.handle.net/11468/23336
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0022286024008251?via%3Dihub
dc.identifier.volume1310en_US
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevier B.V.en_US
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCrystal Structureen_US
dc.subjectDispirophosphazenesen_US
dc.subjectDsscen_US
dc.subjectMycobacterium Tuberculosis H37rven_US
dc.subjectSpectroscopyen_US
dc.titlePhosphorus-nitrogen compounds. Part 72. Bisspiro(N/N)cyclotri-phosphazenes with 4-chlorobenzyl and ferrocenyl pendant arms: Synthesis, structural characterization, dye-sensitized solar cell fabrication and antituberculosis activity studiesen_US
dc.titlePhosphorus-nitrogen compounds. Part 72. Bisspiro(N/N)cyclotri-phosphazenes with 4-chlorobenzyl and ferrocenyl pendant arms: Synthesis, structural characterization, dye-sensitized solar cell fabrication and antituberculosis activity studies
dc.typeArticleen_US

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