Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Magnetic anisotropy and structural flexibility in the field-induced single ion magnets [Co{(OPPh2)(EPPh2)N}2], E = S, Se, explored by experimental and computational methods
Δημιουργός/Συγγραφέας:	Ferentinos, Eleftherios [EL] Τζέλη, Δήμητρα[EN] Tzeli, Demeter Sottini, Silvia Groenen, Edgar J J Ozerov, Mykhaylo Poneti, Giordano Kaniewska-Laskowska, Kinga Krzystek, J Kyritsis, Panayotis
Ημερομηνία:	2023-02-14
Γλώσσα:	Αγγλικά
DOI:	10.1039/d2dt03335f
Άλλο:	36692040
Περίληψη:	During the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically, direct current (DC) magnetometry provided estimations of their zero-field splitting (zfs) axial (D) and rhombic (E) parameter values, which were more accurately determined by a combination of far-infrared magnetic spectroscopy and high-frequency and -field EPR spectroscopy studies. The latter combination of techniques was also implemented for the S = 3/2 tetrahedral [Co{(EPiPr2)2N}2], E = S, Se, complexes, confirming the previously determined magnitude of their zfs parameters. For both pairs of complexes (E = S, Se), it is concluded that the identity of the E donor atom does not significantly affect their zfs parameters. High-resolution multifrequency EPR studies of CoO2E2 provided evidence of multiple conformations, which are more clearly observed for CoO2Se2, in agreement with the structural disorder previously established for this complex by X-ray crystallography. The CoO2E2 complexes were shown to be field-induced SIMs, i.e., they exhibit slow relaxation of magnetization in the presence of an external DC magnetic field. Advanced quantum-chemical calculations on CoO2E2 provided additional insight into their electronic and structural properties.
Τίτλος πηγής δημοσίευσης:	Dalton transactions (Cambridge, England : 2003)
Τόμος/Κεφάλαιο:	52
Τεύχος:	7
Θεματική Κατηγορία:	[EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry
Λέξεις-Κλειδιά:	Magnetic anisotropy Single molecule magnets (SMMs) Magnetometry
EU Grant identifier:	2018/28/T/ST5/00120 DMR-1644779 E-26/010.000978/2019 E-26/202.912/2019 SEI-260003/001167/2020
Κάτοχος πνευματικών δικαιωμάτων:	© The Royal Society of Chemistry 2023
Όροι και προϋποθέσεις δικαιωμάτων:	This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.1039/D2DT03335F
Σημειώσεις:	We are grateful to the Special Account for Research Grants of the National and Kapodistrian University of Athens (P. K.), FAPERJ through grants E-26/202.912/2019, SEI-260003/001167/2020 and E-26/010.000978/2019 (G. P.), and The Netherlands Organization for Scientific Research (NWO) (E. J. J. G) for financial support. Part of this work was performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement No. DMR-1644779 and the State of Florida. E. F. has been awarded a State Scholarship Foundation (IKY) fellowship, by the act “Support for Postdoctoral Researchers”, from the operational program “Human Power Development, Education and Lifelong Learning” (6, 8, 9 priority axes), co-funded by the European Social Fund and the Greek State. K. K.-L. acknowledges the National Science Centre NCN, Poland (ETIUDA 6, no. 2018/28/T/ST5/00120) for financial support during her internship at NHMFL. The Fulbright Foundation in Greece and the NHMFL via its Visiting Scientist Program supported a scientific extended visit of P. K. to the latter. Dr A. Ozarowski (NHMFL) is acknowledged for his EPR fit and simulation software SPIN. We would like to thank the Reviewers of our manuscript for their very constructive comments.
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο