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Spin-crossover behavior of neutral iron(iii) complexes with salicylaldehyde thio-, seleno- and semicarbazone ligands: experiment and theoretical analysis.
- Source :
- Dalton Transactions: An International Journal of Inorganic Chemistry; 7/7/2019, Vol. 48 Issue 25, p9328-9336, 9p
- Publication Year :
- 2019
-
Abstract
- The iron(iii) complex [Fe(Hsemsal)(semsal)]·3H<subscript>2</subscript>O (1) (H<subscript>2</subscript>semsal – salicylaldehyde semicarbazone) has been synthesized and characterized by powder and single crystal X-ray diffraction, and magnetic susceptibility measurements. Crystal structure analysis showed that the complex forms neat stacks stabilized by hydrogen-bonding through water molecules and π–π interactions between phenolate rings of ligands. The complex does not exhibit spin-crossover phenomena and remains in the high-spin state down to 2 K. DFT calculations were performed for a series of neutral Fe(iii) complexes, and the influence of the N<subscript>2</subscript>S<subscript>2</subscript>O<subscript>2</subscript>, N<subscript>2</subscript>Se<subscript>2</subscript>O<subscript>2</subscript> and N<subscript>2</subscript>O<subscript>4</subscript> coordination environment on the spin transition in these complexes was traced. The effect of substituents in the benzene ring of salicylaldehyde on the stabilization of the HS or LS states in complexes of this type was analyzed. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 48
- Issue :
- 25
- Database :
- Complementary Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 137173487
- Full Text :
- https://doi.org/10.1039/c9dt01404g