期刊
CHEMISTRY-AN ASIAN JOURNAL
卷 15, 期 11, 页码 1709-1721出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.202000156
关键词
spin crossover; 5-X-SalEen based ligand (X=Me; Br and OMe); Theoretical investigation; Solid state magnetic property; Liquid state magnetic property
资金
- SERB, Government of India [SERB/CRG/2018/000072]
- IISER Bhopal
The reaction of Fe(NCS)(3) prepared in situ in MeOH with 5-X-SalEen ligands (5-X-SalEen=condensation product of 5-substituted salicylaldehyde and N-ethylethylenediamine) provided three Fe(III) complexes, [Fe(5-X-SalEen)(2)]NCS; X=Me (1), X=Br (2), X=OMe (3). All the complexes reveal similar structural features but a very different magnetic profile. Complex 1 shows a gradual spin crossover while complexes 2 and 3 show a sharp spin transition. The T-1/2 for complex 2 is 237 K while for complex 3 it is much higher with a value of 361 K. The spin transition temperature is shifted towards higher temperature with increasing electron-donation ability of the ligand substituents. This experimental observation has been rationalized with DFT calculations. UV-Vis and cyclic voltammetry studies support the fact that the electron density on the ligand increases from Me to Br to OMe substituents. To understand the change in spin states, temperature-dependent EPR spectra have been recorded. The spin state equilibrium in the liquid state has been probed with Evans NMR spectroscopic method, and thermodynamic parameters have been evaluated for all complexes.
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