scholarly journals Light-Induced Spin Crossover in an Fe(II) Low-Spin Complex Enabled by Surface Adsorption

2018 ◽  
Vol 9 (7) ◽  
pp. 1491-1496 ◽  
Author(s):  
Sebastian Rohlf ◽  
Manuel Gruber ◽  
Benedikt M. Flöser ◽  
Jan Grunwald ◽  
Simon Jarausch ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Surface Adsorption ◽  
Spin Complex

In air a spin crossover active iron(ii) complex of amine/NCBH3− ligands is converted to a low spin complex of imine/CN− ligands

2015 ◽  
Vol 44 (47) ◽  
pp. 20551-20561 ◽  
Author(s):  
Jian Zhou ◽  
Bo-Wen Zhu ◽  
Jie Luan ◽  
Zhan Liu ◽  
Jing-Kun Fang ◽  
...  
Keyword(s):  
Oxidative Dehydrogenation ◽  
Spin Crossover ◽  
Tetradentate Ligand ◽  
Active Iron ◽  
Spin Complex

A spin crossover FeII complex is in situ converted to a low spin complex in the presence of air, induced by the oxidative dehydrogenation of the tetradentate ligand and the generation of CN− from NCBH3−.

scholarly journals Anion Influence on Spin State in Two Novel Fe(III) Compounds: [Fe(5F-sal2333)]X

Crystals ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 19 ◽  
Author(s):  
Sriram Sundaresan ◽  
Irina Kühne ◽  
Conor Kelly ◽  
Andrew Barker ◽  
Daniel Salley ◽  
...  
Keyword(s):  
High Spin ◽  
Spin State ◽  
Spin Crossover ◽  
Structural Investigation ◽  
Variable Temperature ◽  
Magnetic Data ◽  
Crystallographic Site ◽  
Hydrogen Atoms ◽  
High Spin Complex ◽  
Spin Complex

Structural and magnetic data on two iron (III) complexes with a hexadentate Schiff base chelating ligand and Cl− or BPh4− counterions are reported. In the solid state, the Cl− complex [Fe(5F-sal2333)]Cl, 1, is high spin between 5–300 K while the BPh4− analogue [Fe(5F-sal2333)]BPh4, 2, is low spin between 5–250 K, with onset of a gradual and incomplete spin crossover on warming to room temperature. Structural investigation reveals different orientations of the hydrogen atoms on the secondary amine donors in the two salts of the [Fe(5F-sal2333)]+ cation: high spin complex [Fe(5F-sal2333)]Cl, 1, crystallizes with non-meso orientations while the spin crossover complex [Fe(5F-sal2333)]BPh4, 2, crystallizes with a combination of meso and non-meso orientations disordered over one crystallographic site. Variable temperature electronic absorption spectroscopy of methanolic solutions of 1 and 2 suggests that both are capable of spin state switching in the solution.

Spin-crossover in an iron(iii) complex showing a broad thermal hysteresis

2021 ◽  
Author(s):  
Cyril Rajnák ◽  
Romana Mičová ◽  
Ján Moncoľ ◽  
Ľubor Dlháň ◽  
Christoph Krüger ◽  
...  
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Spin Crossover ◽  
Thermal Hysteresis ◽  
Mononuclear Complex ◽  
Hysteresis Width ◽  
Thermally Induced

A pentadentate Schiff-base ligand 3,5Cl-L2− and NCSe− form a iron(iii) mononuclear complex [Fe(3,5Cl-L)(NCSe)], which shows a thermally induced spin crossover with a broad hysteresis width of 24 K between 123 K (warming) and 99 K (cooling).

Dynamic and static muon-spin relaxation observed above and below the spin-crossover in Fe(II) complexes

2004 ◽  
Vol 114 ◽  
pp. 601-605 ◽  
Author(s):  
S. J. Blundell ◽  
T. Lancaster ◽  
F. L. Pratt ◽  
C. A. Steer ◽  
M. L. Brooks ◽  
...  
Keyword(s):  
Spin Relaxation ◽  
Spin Crossover ◽  
Muon Spin ◽  
Muon Spin Relaxation

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Function Calculations

2019 ◽  
Author(s):  
Xianghai Sheng ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Density Functional Theory ◽  
Exchange Coupling ◽  
Density Functional ◽  
Spin Crossover ◽  
Coupling Constants ◽  
Spin Projection ◽  
Coupling Constant ◽  
Projection Model ◽  
Functional Theory

This work evaluates the quality of exchange coupling constant and spin crossover gap calculations using density functional theory corrected by the Approximate Projection model. Results show that improvements using the Approximate Projection model range from modest to significant. This study demonstrates that, at least for the class of systems examined here, spin-projection generally improves the quality of density functional theory calculations of J-coupling constants and spin crossover gaps. Furthermore, it is shown that spin-projection can be important for both geometry optimization and energy evaluations. The Approximate Project model provides an affordable and practical approach for effectively correcting spin-contamination errors in molecular exchange coupling constant and spin crossover gap calculations.

Abrupt spin crossover in iron(iii) complexes with aromatic anions

2019 ◽  
Vol 48 (41) ◽  
pp. 15515-15520 ◽  
Author(s):  
Sharon E. Lazaro ◽  
Adil Alkaş ◽  
Seok J. Lee ◽  
Shane G. Telfer ◽  
Keith S. Murray ◽  
...  
Keyword(s):  
Transition Temperature ◽  
Spin Crossover ◽  
Spin Transition ◽  
Halogen Bonds ◽  
Aromatic Anions

Two iron(iii) complexes, [Fe(qsal-X)2]OTs·nH2O, are found to exhibit abrupt spin crossover with the spin transition temperature substituent dependent, and X⋯O halogen bonds linking the spin centres.

Sign in / Sign up

Export Citation Format

Share Document