Guest Tunable Structure and Spin Crossover Properties in a Nanoporous Coordination Framework Material

2009 ◽  
Vol 131 (34) ◽  
pp. 12106-12108 ◽  
Author(s):  
Suzanne M. Neville ◽  
Gregory J. Halder ◽  
Karena W. Chapman ◽  
Martin B. Duriska ◽  
Boujemaa Moubaraki ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Tunable Structure ◽  
Coordination Framework

Chemical/Physical Pressure Tunable Spin-Transition Temperature and Hysteresis in a Two-Step Spin Crossover Porous Coordination Framework

2012 ◽  
Vol 51 (17) ◽  
pp. 9423-9430 ◽  
Author(s):  
Jian-Bin Lin ◽  
Wei Xue ◽  
Bao-Ying Wang ◽  
Jun Tao ◽  
Wei-Xiong Zhang ◽  
...  
Keyword(s):  
Transition Temperature ◽  
Spin Crossover ◽  
Spin Transition ◽  
Coordination Framework

The ON–OFF switching of thermal spin crossover by interstitial solvent exchange in a layered ReV–CN–FeII coordination framework

2021 ◽  
Vol 129 (14) ◽  
pp. 143902
Author(s):  
Tomasz Charytanowicz ◽  
Jakub J. Zakrzewski ◽  
Katarzyna Dziedzic-Kocurek ◽  
Szymon Chorazy ◽  
Barbara Sieklucka
Keyword(s):  
Spin Crossover ◽  
Solvent Exchange ◽  
Coordination Framework

scholarly journals Spin crossover-induced colossal positive and negative thermal expansion in a nanoporous coordination framework material

2017 ◽  
Vol 8 (1) ◽  
Author(s):  
Benjamin R. Mullaney ◽  
Laurence Goux-Capes ◽  
David J. Price ◽  
Guillaume Chastanet ◽  
Jean-François Létard ◽  
...  
Keyword(s):  
Thermal Expansion ◽  
Spin Crossover ◽  
Negative Thermal Expansion ◽  
Coordination Framework

Surface morphology-induced spin-crossover-inactive high-spin state in a coordination framework

2021 ◽  
Author(s):  
Shun Sakaida ◽  
Kazuya Otsubo ◽  
Ken-ichi Otake ◽  
Shogo Kawaguchi ◽  
Mitsuhiko Maesato ◽  
...  
Keyword(s):  
Surface Morphology ◽  
High Spin ◽  
Spin State ◽  
Ultrathin Films ◽  
Spin Crossover ◽  
High Spin State ◽  
Surface Microstructure ◽  
State Control ◽  
Coordination Framework

Here we report a surface morphology-induced spin state control in ultrathin films of a spin-crossover (SCO) material. The surface microstructure of film domains exhibited selectivity, to stabilize the SCO-active high-spin...

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.

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