Publication detail

Ion-pair complexes of Schiff base Fe(iii) cations and complex anions

NEMEC, I. ZOUFALÝ, P. JEWULA, P. ANTAL, P. LINERT, W. HERCHEL, R.

Original Title

Ion-pair complexes of Schiff base Fe(iii) cations and complex anions

Type

journal article in Web of Science

Language

English

Original Abstract

Compound [Fe(H-2-4OH-L-6)]Cl was used for preparation of four new ion-pair complexes with general formula: [Fe(H-2-4OH-L-6)][M(L-3)(2)]H2O (M = Co-III (3a), Cr-III (3b) and Fe-III (3c)) and [Fe(H-2-4OH-L-6)][Ag(CN)(2)] (3d), where H-4-4OH-L-6 = N,N-bis[2,4-dihydroxy-(benzylideneamino)ethyl]ethane-1,2-diamine and H2L3 = 2-{(E)-[(2-hydroxyphenyl)imino]methyl}phenol. Furthermore, two [Fe(H-4OH-L-6)] complexes (1a and 1b) with monodeprotonated hexadentate ligands were prepared. The crystal structures were determined by single-crystal X-ray measurements for all the above-mentioned complexes excluding 3c. Its isostructurality with 3a-b was confirmed by powder X-ray diffraction. The magnetic properties were investigated by static magnetic measurements and they are dominated by the high spin ground state of the complex cations and anions and at a smaller scale by the intermolecular interactions present among the molecules. The susceptibility and magnetization data were fitted simultaneously using the model for monomeric complexes including the zero-field splitting and the molecular field correction and these studies were supported also by CASSCF/NEVPT2 and BS-DFT calculations.

Keywords

FE-III COMPLEX; STATE PERTURBATION-THEORY; FITTING BASIS-SETS; SPIN-CROSSOVER; HARTREE-FOCK; TRANSITION; VALENCE; LIGANDS; IMPLEMENTATION; EFFICIENT

Authors

NEMEC, I.; ZOUFALÝ, P.; JEWULA, P.; ANTAL, P.; LINERT, W.; HERCHEL, R.

Released

28. 3. 2019

ISBN

1144-0546

Periodical

NEW JOURNAL OF CHEMISTRY

Year of study

43

Number

12

State

United Kingdom of Great Britain and Northern Ireland

Pages from

4937

Pages to

4946

Pages count

10

URL

https://pubs.rsc.org/en/content/articlelanding/2019/NJ/C9NJ00192A#!divAbstract

BibTex

@article{BUT159689,
  author="Ivan {Nemec} and Pavel {Zoufalý} and Pawel {Jewula} and Peter {Antal} and Wolfgang {Linert} and Radovan {Herchel}",
  title="Ion-pair complexes of Schiff base Fe(iii) cations and complex anions",
  journal="NEW JOURNAL OF CHEMISTRY",
  year="2019",
  volume="43",
  number="12",
  pages="4937--4946",
  doi="10.1039/c9nj00192a",
  issn="1144-0546",
  url="https://pubs.rsc.org/en/content/articlelanding/2019/NJ/C9NJ00192A#!divAbstract"
}