Mononuclear complexes of dysprosium(<sc>iii</sc>) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties

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dc.authorscopusidGhodrat Mahmoudi / 15765751200
dc.authorwosidGhodrat Mahmoudi / AAB-6892-2022
dc.contributor.authorKopotkov, Vyacheslav A.
dc.contributor.authorZorina, Leokadiya V.
dc.contributor.authorSimonov, Sergey V.
dc.contributor.authorKorchagin, Denis V.
dc.contributor.authorZhidkov, Mikhail V.
dc.contributor.authorDmitriev, Alexei I.
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorYagubskii, Eduard B.
dc.date.accessioned2025-04-17T07:47:42Z
dc.date.available2025-04-17T07:47:42Z
dc.date.issued2025
dc.departmentİstinye Üniversitesi, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Bölümü
dc.description.abstractFour discrete mononuclear Dy(iii) coordination compounds with the pentadentate N3O2 equatorial ligand 2,6-diacetylpyridine-bis(isonicotinoylhydrazone) (H2dapin) in different charge states, containing the strong-field ligands Ph3PO and Cy3PO at the apical positions, have been synthesized: [Dy(H2dapin)(Ph3PO)3](CF3SO4)3 (1), [Dy(Hdapin)(Ph3PO)3](ClO4)2C2H5OH1.9H2O (2), [Dy(Hdapin)(Cy3PO)2](CF3SO3)2 (3) and [Dy(Hdapin)(Cy3PO)2] [Dy(dapin)(Cy3PO)2](CF3SO3)3 (4). The crystal structures of the complexes and DC and AC magnetic properties of 1 and 3 have been investigated. Complexes 1 and 2 with triphenylphosphinoxide apical ligands are eight-coordinated, whereas 3 and 4 with bulkier tricyclohexylphosphinoxide ligands are rare seven-coordinated Dy(iii) complexes. The pyridine-substituted pentadentate N3O2 ligand exhibits variability in composition and charge: neutral doubly-protonated H2dapin in complex 1, monodeprotonated negatively charged Hdapin- in 2 and 3, and monodeprotonated Hdapin- and fully deprotonated dapin2- in 4. The proton at one of the hydrazide groups of the H2dapin ligand in 1 is transferred to the terminal pyridine N atom. The resulting neutral H2dapin ligand adopts a zwitterionic form with 1- charge localized on the enolate O atom of the deprotonated part and 1+ charge on the N atom of the protonated pyridine. The proton transfer to the pyridyl N-atom is observed in all Hdapin- ligands in 2-4. According to SHAPE analysis, complexes 1 and 3 have significantly different local symmetries - low D2d (highly distorted 8-vertex triangular dodecahedron) and high D5h (7-vertex pentagonal bipyramid), respectively. In contrast to 1, complex 3 is a single-ion magnet and shows slow magnetic relaxation. The experimental study of the magnetic properties was complemented by theoretical analysis based on ab initio calculations.
dc.description.sponsorshipMinistry of Science and Higher Education of the Russian Federation Computational and Analytical Center of the FRC PCP MC RAS
dc.identifier.citationKopotkov, V. A., Zorina, L. V., Simonov, S. V., Korchagin, D. V., Zhidkov, M. V., Dmitriev, A. I., ... & Yagubskii, E. B. (2025). Mononuclear complexes of dysprosium (iii) with 2, 6-diacetylpyridine bis (isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties. CrystEngComm.
dc.identifier.doi10.1039/d5ce00066a
dc.identifier.issn1466-8033
dc.identifier.urihttp://dx.doi.org/10.1039/d5ce00066a
dc.identifier.urihttps://hdl.handle.net/20.500.12713/6132
dc.identifier.wosWOS:001436113600001
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.institutionauthorMahmoudi, Ghodrat
dc.institutionauthoridGhodrat Mahmoudi / 0000-0002-4846-5283
dc.language.isoen
dc.publisherRoyal society of chemistry
dc.relation.ispartofCrystengcomm
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleMononuclear complexes of dysprosium(<sc>iii</sc>) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties
dc.typeArticle

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