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  Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine

Nano, K., Zahariou, G., Ioannou, P.-C., Alam, M. M., Pantazis, D. A., Raptopoulou, C. P., et al. (2021). Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine. Polyhedron, 207(10): 115374. doi:10.1016/j.poly.2021.115374.

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 Urheber:
Nano, Konstantina1, Autor
Zahariou, Georgia2, Autor
Ioannou, Polydoros-Chrisovalantis1, Autor
Alam, Md Mehboob3, 4, Autor           
Pantazis, Dimitrios A.3, Autor           
Raptopoulou, Catherine P.2, Autor
Psycharis, Vasilis2, Autor
Sanakis, Yiannis2, Autor
Kyritsis, Panayotis1, Autor
Affiliations:
1Inorganic Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, Greece, ou_persistent22              
2NCSR “Demokritos”, Institute of Nanoscience and Nanotechnology, 15310 Aghia Paraskevi, Athens, Greece, ou_persistent22              
3Research Group Pantazis, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541711              
4Department of Chemistry, Indian Institute of Technology Bhilai, GEC Campus, Sejbahar, Raipur, Chhattisgarh 492015, India, ou_persistent22              

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Schlagwörter: Manganese; X-ray crystallography; EPR spectroscopy; DFT; Zero-field splitting
 Zusammenfassung: The synthesis, as well as the structural and electronic properties of the [Mn(O,O)(N,N)(NO3)] complexes, (O,O) = {PhC(O)NP(O)PPh2}, (N,N) = phenanthroline (1), neocuproine (2) and 2,2′-bipyridine (3) is reported. The three complexes were structurally characterized by X-ray crystallography, and complexes 1 and 2 were shown to be closer to octahedral, whereas 3 to trigonal prismatic. The zero-field splitting parameters of these S = 5/2 systems were determined by X- and Q-band EPR spectroscopy, revealing a small but significant difference in the magnitude of |D| for complex 3 (0.18 cm−1) compared to those of 1 and 2 (0.14 and 0.12 cm−1, respectively). These differences are attributed to the structural and electronic properties of complexes 1–3. The latter were probed by DFT calculations, which showed different DSOC contributions among the three complexes.

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Sprache(n): eng - English
 Datum: 2021-05-012021-07-202021-10-01
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1016/j.poly.2021.115374
 Art des Abschluß: -

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Titel: Polyhedron
  Kurztitel : Polyhedron
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: Oxford : Pergamon
Seiten: - Band / Heft: 207 (10) Artikelnummer: 115374 Start- / Endseite: - Identifikator: ISSN: 0277-5387
CoNE: https://pure.mpg.de/cone/journals/resource/954925622228_2