scholarly journals Precise control of the degree and regioselectivity of functionalization in nitro- and amino-functionalized di(trispyrazolylborato)iron(II) spin crossover complexes

2021 ◽  
Author(s):  
Chenyang Ma ◽  
Claire Besson
Keyword(s):  
Spin Crossover ◽  
Nanoscale Devices ◽  
Precise Control ◽  
Fe Complexes ◽  
Spin Crossover Complexes

Di(trispyrazolylborato)iron(II) ([Tp2Fe]) complexes represent one of the most robust class of spin crossover complexes. Their stability renders them particularly suitable for integration in nanoscale devices, e.g. as sensors or information...

scholarly journals Precise control of the degree and regioselectivity of functionalization in nitro- and amino-functionalized di(trispyrazolylborato)iron(II) spin crossover complexes

2021 ◽  
Author(s):  
Chenyang Ma ◽  
Claire Besson
Keyword(s):  
Hydrogen Transfer ◽  
Spin Crossover ◽  
Systematic Investigation ◽  
Iron Complex ◽  
Information Storage ◽  
Electronic Effects ◽  
Precise Control ◽  
Amine Functionalized ◽  
Spin Crossover Complexes ◽  
Storage Units

Di(trispyrazolylborato)iron(II) ([Tp2Fe]) complexes represent one of the most robust class of spin crossover complexes. Their stability renders them particularly suitable for integration in nanoscale devices, e.g. as sensors or information storage units. While prior studies of the functionalization of those derivatives have been focused on the electronic and steric effect of alkyl and -CF3 groups in position 3, a pyrazole exchange reaction between nitropyrazole and either trispyrazolylborate or its iron complex allows the regioselective installation of nitro substituents in positions 3, 4 and 5 of [Tp2Fe] complexes. The degree of substitution can be varied from 1 to 4 functionalized pyrazoles per complex. The amine functionalized analogues are accessed by reduction of the nitro analogues under hydrogen transfer conditions. With the exception of di- and tetra-3-NO2 substituted complexes, all derivatives display spin crossover properties in the solid state, with transition temperatures ranging from 180 to 380 K and showing different degree of abruptness, but no hysteresis. The Slichter-Drickamer model was used to extract empirical thermodynamic transition parameters, allowing a systematic investigation of the influence of stoichiometry, position, and electronic nature of the substitution on the magnetic properties of the complexes. Steric effects dominate for substitution in position 3, but electronic effects are significant for the other positions.

A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-Field N2 O4 Coordination Octahedron

2015 ◽  
Vol 22 (4) ◽  
pp. 1253-1257 ◽  
Author(s):  
Kazuyuki Takahashi ◽  
Kiko Kawamukai ◽  
Mitsunobu Okai ◽  
Tomoyuki Mochida ◽  
Takahiro Sakurai ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Weak Field ◽  
New Family ◽  
Spin Crossover Complexes

Relevance of supramolecular interactions, texture and lattice occupancy in the designer iron(II) spin crossover complexes

2009 ◽  
Vol 182 (6) ◽  
pp. 1365-1376 ◽  
Author(s):  
Anil D. Naik ◽  
Bernard Tinant ◽  
Kai Muffler ◽  
Juliusz A. Wolny ◽  
Volker Schünemann ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Supramolecular Interactions ◽  
Spin Crossover Complexes

Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition

2021 ◽  
Author(s):  
Miguel Gakiya-Teruya ◽  
Xuanyuan Jiang ◽  
Duy Le ◽  
Ökten Üngör ◽  
Abdullah J. Durrani ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Surface Deposition ◽  
Spin Crossover Complexes

Targeted structural modification of spin crossover complexes: pyridine vs pyrazine

2017 ◽  
Vol 30 (4) ◽  
pp. 296-304 ◽  
Author(s):  
Humphrey L. C. Feltham ◽  
Matthew G. Cowan ◽  
Jonathan A. Kitchen ◽  
Guy N. L. Jameson ◽  
Sally Brooker
Keyword(s):  
Structural Modification ◽  
Spin Crossover ◽  
Spin Crossover Complexes

scholarly journals CASPT2 molecular geometries of Fe(II) spin-crossover complexes

2021 ◽  
Author(s):  
Brian A. Finney ◽  
Sabyasachi Roy Chowdhury ◽  
Clara Kirkvold ◽  
Bess Vlaisavljevich
Keyword(s):  
Spin Crossover ◽  
Spin Crossover Complexes ◽  
Analytical Gradients

Using fully internally contracted (FIC)-CASPT2 analytical gradients, geometry optimizations of spin-crossover complexes are reported. This approach is tested on a series of Fe(II) complexes with different sizes, ranging from 13...

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