Details
| Original language | English |
|---|---|
| Pages (from-to) | 902-915 |
| Number of pages | 14 |
| Journal | European Journal of Inorganic Chemistry |
| Issue number | 5-6 |
| Early online date | 4 Dec 2012 |
| Publication status | Published - Feb 2013 |
Abstract
Iron(III) mononuclear complexes that involve pentadentate Schiff base ligands and chlorido, azido, cyanido, cyanato, thiocyanato, or selenocyanato coligands were synthesized, structurally characterized, and subjected to a magnetochemical investigation. The Schiff bases were derived either from 5-chlorosalicylaldehyde or the 2-hydroxyacetonaphthone analogues by using an asymmetric 1,6-diamino-4-azahexane. A polymorphism that originated from different pentadentate ligand conformations on the iron center or different arrangements of noncovalent contacts was detected for the thiocyan ato complexes. The central iron(III) atoms are mostly in the high-spin states, except for that with the coordinated cyanido ligand. Four complexes that contain the thiocyanato or selenocyanato ligand exhibit spin crossover, centered at the critical temperature (Tc) of 42, 114, 282, and 293 K, respectively. The magnetic data of all compounds were analyzed using the spin Hamiltonian formalism including the zerofield splitting (ZFS) term, and in the case of the spin-crossover compounds, the Ising-like model with vibrations was applied.
Keywords
- Iron, Ligand design, Pseudohalides, Schiff bases, Spin crossover
ASJC Scopus subject areas
- Chemistry(all)
- Inorganic Chemistry
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In: European Journal of Inorganic Chemistry, No. 5-6, 02.2013, p. 902-915.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Spin Crossover in Iron(III) Complexes with Pentadentate Schiff Base Ligands and Pseudohalido Coligands
AU - Krüger, Christoph
AU - Augustín, Peter
AU - Nemec, Ivan
AU - Trávníček, Zdeňek
AU - Oshio, Hiroki
AU - Boča, Roman
AU - Renz, Franz
AU - Trávníček, Zdeňek
PY - 2013/2
Y1 - 2013/2
N2 - Iron(III) mononuclear complexes that involve pentadentate Schiff base ligands and chlorido, azido, cyanido, cyanato, thiocyanato, or selenocyanato coligands were synthesized, structurally characterized, and subjected to a magnetochemical investigation. The Schiff bases were derived either from 5-chlorosalicylaldehyde or the 2-hydroxyacetonaphthone analogues by using an asymmetric 1,6-diamino-4-azahexane. A polymorphism that originated from different pentadentate ligand conformations on the iron center or different arrangements of noncovalent contacts was detected for the thiocyan ato complexes. The central iron(III) atoms are mostly in the high-spin states, except for that with the coordinated cyanido ligand. Four complexes that contain the thiocyanato or selenocyanato ligand exhibit spin crossover, centered at the critical temperature (Tc) of 42, 114, 282, and 293 K, respectively. The magnetic data of all compounds were analyzed using the spin Hamiltonian formalism including the zerofield splitting (ZFS) term, and in the case of the spin-crossover compounds, the Ising-like model with vibrations was applied.
AB - Iron(III) mononuclear complexes that involve pentadentate Schiff base ligands and chlorido, azido, cyanido, cyanato, thiocyanato, or selenocyanato coligands were synthesized, structurally characterized, and subjected to a magnetochemical investigation. The Schiff bases were derived either from 5-chlorosalicylaldehyde or the 2-hydroxyacetonaphthone analogues by using an asymmetric 1,6-diamino-4-azahexane. A polymorphism that originated from different pentadentate ligand conformations on the iron center or different arrangements of noncovalent contacts was detected for the thiocyan ato complexes. The central iron(III) atoms are mostly in the high-spin states, except for that with the coordinated cyanido ligand. Four complexes that contain the thiocyanato or selenocyanato ligand exhibit spin crossover, centered at the critical temperature (Tc) of 42, 114, 282, and 293 K, respectively. The magnetic data of all compounds were analyzed using the spin Hamiltonian formalism including the zerofield splitting (ZFS) term, and in the case of the spin-crossover compounds, the Ising-like model with vibrations was applied.
KW - Iron
KW - Ligand design
KW - Pseudohalides
KW - Schiff bases
KW - Spin crossover
UR - http://www.scopus.com/inward/record.url?scp=84875690769&partnerID=8YFLogxK
U2 - 10.1002/ejic.201201038
DO - 10.1002/ejic.201201038
M3 - Article
AN - SCOPUS:84875690769
SP - 902
EP - 915
JO - European Journal of Inorganic Chemistry
JF - European Journal of Inorganic Chemistry
SN - 1434-1948
IS - 5-6
ER -