Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands

Research output: Contribution to journal › Article › Research › peer review

Authors

  • Romana Mičová
  • Zuzana Bielková
  • Cyril Rajnák
  • Ján Titiš
  • Milan Gembický
  • Franz Renz
  • Ondřej Malina
  • Erika Samoľová
  • Jana Nováčiková
  • Roman Boča

Research Organisations

External Research Organisations

  • University of SS Cyril and Methodius, Trnava
  • University of California at San Diego
  • Palacky University
  • University of San Diego
  • Czech Academy of Sciences (CAS)
  • Slovak University of Technology in Bratislava
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Details

Original languageEnglish
Pages (from-to)18083-18089
Number of pages7
JournalNew journal of chemistry
Volume46
Issue number37
Early online date30 Aug 2022
Publication statusPublished - 2022

Abstract

A new series of Fe(iii) mononuclear complexes of the [Fe(L am)(X)] type {where X = Cl (1), NCSe (2), NCS (3), N 3 (4), and NCO (5)} have been prepared and characterized in detail. An untraditional pentadentate amino-ligand L am was prepared by a reductive amination of an imino precursor L im. The DC magnetic data confirm a high-spin state for 1-5 over the whole temperature scale; however, some significant differences in the magnetic data are observed. The spin Hamiltonian with the isotropic Zeeman term has been utilized for describing the zero-field splitting (ZFS) in 2, 3 and 5. In 1 and 4, the formation of exchange coupled dimers is evident with the isotropic exchange coupling of antiferromagnetic nature. The zero-field splitting D parameters adopt small values: 1.15 (1), −0.74 (2), −1.7 (3), 1.5 (4) and −0.62 cm −1 (5) which match the theoretical predictions.

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Cite this

Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands. / Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril et al.
In: New journal of chemistry, Vol. 46, No. 37, 2022, p. 18083-18089.

Research output: Contribution to journal › Article › Research › peer review

Mičová, R, Bielková, Z, Rajnák, C, Titiš, J, Gembický, M, Renz, F, Malina, O, Samoľová, E, Nováčiková, J & Boča, R 2022, 'Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands', New journal of chemistry, vol. 46, no. 37, pp. 18083-18089. https://doi.org/10.1039/D2NJ02294J
Mičová, R., Bielková, Z., Rajnák, C., Titiš, J., Gembický, M., Renz, F., Malina, O., Samoľová, E., Nováčiková, J., & Boča, R. (2022). Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands. New journal of chemistry, 46(37), 18083-18089. https://doi.org/10.1039/D2NJ02294J
Mičová R, Bielková Z, Rajnák C, Titiš J, Gembický M, Renz F et al. Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands. New journal of chemistry. 2022;46(37):18083-18089. Epub 2022 Aug 30. doi: 10.1039/D2NJ02294J
Mičová, Romana ; Bielková, Zuzana ; Rajnák, Cyril et al. / Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands. In: New journal of chemistry. 2022 ; Vol. 46, No. 37. pp. 18083-18089.
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title = "Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands",
abstract = "A new series of Fe(iii) mononuclear complexes of the [Fe(L am)(X)] type {where X = Cl (1), NCSe (2), NCS (3), N 3 (4), and NCO (5)} have been prepared and characterized in detail. An untraditional pentadentate amino-ligand L am was prepared by a reductive amination of an imino precursor L im. The DC magnetic data confirm a high-spin state for 1-5 over the whole temperature scale; however, some significant differences in the magnetic data are observed. The spin Hamiltonian with the isotropic Zeeman term has been utilized for describing the zero-field splitting (ZFS) in 2, 3 and 5. In 1 and 4, the formation of exchange coupled dimers is evident with the isotropic exchange coupling of antiferromagnetic nature. The zero-field splitting D parameters adopt small values: 1.15 (1), −0.74 (2), −1.7 (3), 1.5 (4) and −0.62 cm −1 (5) which match the theoretical predictions.",
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note = "Funding Information: Slovak grant agencies (APVV 18-0016, APVV 19-0087, VEGA 1/0191/22 and VEGA 1/0086/21) are acknowledged for the financial support. Dr. M. Tatarkov{\'a} (SAS Bratislava) is acknowledged for providing the X-ray powder diffraction data. The work was supported from ERDF/ESF “Nano4Future” (No. CZ.02.1.01/0.0/0.0/16_019/0000754).",
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TY - JOUR

T1 - Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands

AU - Mičová, Romana

AU - Bielková, Zuzana

AU - Rajnák, Cyril

AU - Titiš, Ján

AU - Gembický, Milan

AU - Renz, Franz

AU - Malina, Ondřej

AU - Samoľová, Erika

AU - Nováčiková, Jana

AU - Boča, Roman

N1 - Funding Information: Slovak grant agencies (APVV 18-0016, APVV 19-0087, VEGA 1/0191/22 and VEGA 1/0086/21) are acknowledged for the financial support. Dr. M. Tatarková (SAS Bratislava) is acknowledged for providing the X-ray powder diffraction data. The work was supported from ERDF/ESF “Nano4Future” (No. CZ.02.1.01/0.0/0.0/16_019/0000754).

PY - 2022

Y1 - 2022

N2 - A new series of Fe(iii) mononuclear complexes of the [Fe(L am)(X)] type {where X = Cl (1), NCSe (2), NCS (3), N 3 (4), and NCO (5)} have been prepared and characterized in detail. An untraditional pentadentate amino-ligand L am was prepared by a reductive amination of an imino precursor L im. The DC magnetic data confirm a high-spin state for 1-5 over the whole temperature scale; however, some significant differences in the magnetic data are observed. The spin Hamiltonian with the isotropic Zeeman term has been utilized for describing the zero-field splitting (ZFS) in 2, 3 and 5. In 1 and 4, the formation of exchange coupled dimers is evident with the isotropic exchange coupling of antiferromagnetic nature. The zero-field splitting D parameters adopt small values: 1.15 (1), −0.74 (2), −1.7 (3), 1.5 (4) and −0.62 cm −1 (5) which match the theoretical predictions.

AB - A new series of Fe(iii) mononuclear complexes of the [Fe(L am)(X)] type {where X = Cl (1), NCSe (2), NCS (3), N 3 (4), and NCO (5)} have been prepared and characterized in detail. An untraditional pentadentate amino-ligand L am was prepared by a reductive amination of an imino precursor L im. The DC magnetic data confirm a high-spin state for 1-5 over the whole temperature scale; however, some significant differences in the magnetic data are observed. The spin Hamiltonian with the isotropic Zeeman term has been utilized for describing the zero-field splitting (ZFS) in 2, 3 and 5. In 1 and 4, the formation of exchange coupled dimers is evident with the isotropic exchange coupling of antiferromagnetic nature. The zero-field splitting D parameters adopt small values: 1.15 (1), −0.74 (2), −1.7 (3), 1.5 (4) and −0.62 cm −1 (5) which match the theoretical predictions.

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DO - 10.1039/D2NJ02294J

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VL - 46

SP - 18083

EP - 18089

JO - New journal of chemistry

JF - New journal of chemistry

SN - 0398-9836

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