Detail publikace

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

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

Originální název

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

Typ

článek v časopise ve Web of Science, Jimp

Jazyk

angličtina

Originální abstrakt

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.

Klíčová slova

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

Autoři

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

Vydáno

28. 3. 2019

ISSN

1144-0546

Periodikum

NEW JOURNAL OF CHEMISTRY

Ročník

43

Číslo

12

Stát

Spojené království Velké Británie a Severního Irska

Strany od

4937

Strany do

4946

Strany počet

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"
}