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.authoridHokelek, Tuncer/0000-0002-8602-4382
dc.authorid, RESIT/0000-0002-2802-0754
dc.contributor.authorBerberoglu, Ipek
dc.contributor.authorCemaloglu, Resit
dc.contributor.authorBinici, Arzu
dc.contributor.authorYakut, Mehtap
dc.contributor.authorAsmafiliz, Nuran
dc.contributor.authorKilic, Zeynel
dc.contributor.authorGuzel, Remziye
dc.date.accessioned2025-02-22T14:09:00Z
dc.date.available2025-02-22T14:09:00Z
dc.date.issued2024
dc.departmentDicle Üniversitesien_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 inorganicorganic 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 singlecrystal 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 ferrocenyldispirophosphazenes, 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.description.sponsorshipTurkish Academy of Sciences (TUBA); Hacettepe University Scientific Research Project Unit [013 D04 602 004]en_US
dc.description.sponsorshipZ. K. thanks the Turkish Academy of Sciences (TUBA) for partial support of this work. T. H. is grateful to Hacettepe University Scientific Research Project Unit (Grant No. 013 D04 602 004) .en_US
dc.identifier.doi10.1016/j.molstruc.2024.138305
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopusqualityQ1en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2024.138305
dc.identifier.urihttps://hdl.handle.net/11468/29750
dc.identifier.volume1310en_US
dc.identifier.wosWOS:001229183700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.snmzKA_WOS_20250222
dc.subjectDispirophosphazenesen_US
dc.subjectSpectroscopyen_US
dc.subjectCrystal structureen_US
dc.subjectDSSCen_US
dc.subjectMycobacterium tuberculosis H37Rven_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.typeArticleen_US

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