Two New Iron(II) Spin-Crossover Complexes with N4O2Coordination Sphere and Spin Transition around Room Temperature

2009 ◽  
Vol 2009 (36) ◽  
pp. 5527-5534 ◽  
Author(s):  
Birgit Weber ◽  
Jaroslava Obel ◽  
Dunie Henner-Vásquez ◽  
Wolfgang Bauer
Keyword(s):  
Room Temperature ◽  
Spin Crossover ◽  
Spin Transition ◽  
Spin Crossover Complexes

One Shot Laser Pulse Induced Reversible Spin Transition in the Spin-Crossover Complex [Fe(C4H4N2){Pt(CN)4}] at Room Temperature

2005 ◽  
Vol 117 (26) ◽  
pp. 4137-4141 ◽  
Author(s):  
Sébastien Bonhommeau ◽  
Gábor Molnár ◽  
Ana Galet ◽  
Antoine Zwick ◽  
José-Antonio Real ◽  
...  
Keyword(s):  
Laser Pulse ◽  
Room Temperature ◽  
Spin Crossover ◽  
Spin Transition

Compensation effects and relation between the activation energy of spin transition and the hysteresis loop width for an iron(ii) complex

2016 ◽  
Vol 18 (25) ◽  
pp. 16690-16699 ◽  
Author(s):  
Mark B. Bushuev ◽  
Denis P. Pishchur ◽  
Elena B. Nikolaenkova ◽  
Viktor P. Krivopalov
Keyword(s):  
Hysteresis Loop ◽  
Spin Crossover ◽  
Thermal Hysteresis ◽  
Activation Barrier ◽  
Spin Transition ◽  
Hysteresis Loops ◽  
High Activation ◽  
Activation Barriers ◽  
Spin Crossover Complexes ◽  
Hysteresis Loop Width

Wide thermal hysteresis loops for iron(ii) spin crossover complexes are associated with high activation barriers: the higher the activation barrier, the wider the hysteresis loop for a series of related spin crossover systems.

Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties

2019 ◽  
Vol 7 (5) ◽  
pp. 1151-1163 ◽  
Author(s):  
Johannes Weihermüller ◽  
Stephan Schlamp ◽  
Wolfgang Milius ◽  
Florian Puchtler ◽  
Josef Breu ◽  
...  
Keyword(s):  
Phase Transition ◽  
Crystal Structures ◽  
Coordination Polymers ◽  
Spin Crossover ◽  
Spin Transition ◽  
Spin Crossover Complexes ◽  
Platelet Formation

A cooperative spin transition and thin platelet formation is observed for 1D coordination polymers of amphiphilic iron(ii) spin crossover complexes.

Towards direct correlations between spin-crossover and structural features in iron(II) complexes

2003 ◽  
Vol 59 (4) ◽  
pp. 479-486 ◽  
Author(s):  
Mathieu Marchivie ◽  
Philippe Guionneau ◽  
Jean-François Létard ◽  
Daniel Chasseau
Keyword(s):  
Crystal Structures ◽  
Room Temperature ◽  
Spin Crossover ◽  
Spin Transition ◽  
Intermolecular Hydrogen Bond ◽  
Structural Features ◽  
Gradual Transition ◽  
Hydrogen Bond Interaction ◽  
First Approximation ◽  
Two Phases

The [Fe(PM-BiA)2(NCS)2] complex, where PM is N-2-pyridylmethylene and BiA is 4-aminobiphenyl, crystallizes in two polymorphs. The two phases, denoted (I) and (II), undergo a spin-crossover when the sample is cooled and present distinct spin-transition features as (I) shows a very abrupt spin transition, while (II) exhibits a gradual transition. The two forms of the complex are used to investigate the correlations that exist between the spin-transition features and structural features. This article presents the crystal structures of polymorph (II) at room temperature (high spin) and at 120 K (low spin), including a comparison with those of polymorph (I). This study reveals that the packing, in a first approximation, is similar in both forms. In order to look at the crystal structures in more detail, a new angular parameter, denoted θNCS, as well as a particular type of intermolecular hydrogen-bond interaction, which involves the S atoms of the NCS ligands, are investigated. Interestingly, this angle and this intermolecular interaction can be directly connected to the cooperativity of the spin transition. Such a result is extended to all the SCO iron(II) complexes belonging to the same family of the general formula [Fe(PM-L)2(NCS)2].

scholarly journals Cooperativity of Spin Crossover Complexes: Combining Periodic Density Functional Calculations and Monte Carlo Simulations

2017 ◽  
Author(s):  
Lars Kreutzburg ◽  
Christian G. Hübner ◽  
Hauke Paulsen
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Density Functional ◽  
Spin Crossover ◽  
Spin Transition ◽  
Functional Theory ◽  
Calculational Procedure ◽  
Spin Crossover Complexes ◽  
The Individual ◽  
Good Agreement

The total enthalpies of the 16 different spin configurations that can be realized in the unit cell of the archetype spin crossover complex [Fe(phen)2(NCS)2] (phen=1,2-phenanthroline) were calculated applying periodic density functional theory combined with the Hubbard model and the Grimme-D2 dispersion correction (DFT+U/D2). The obtained enthalpy differences between the individual spin configurations were used to determine spin couplings of an Ising-like model and subsequent Monte Carlo simulations for this model allowed to estimate the phenomenological interaction parameter Г of the Slichter-Drickamer model, which is commonly used to describe the cooperativity of the spin transition. The calculational procedure described here, which led to an estimate of about 3 kJ/mol−1 for Г, in good agreement with experiment, may be used to predict from first principles how modifications of spin crossover complexes can change the character of the spin transition from gradual to abrupt and vice versa.

FeII(pap-5NO2)2and FeII(qsal-5NO2)2Schiff-Base Spin-Crossover Complexes: A Rare Example with Photomagnetism and Room-Temperature Bistability

2015 ◽  
Vol 54 (4) ◽  
pp. 1791-1799 ◽  
Author(s):  
Olga Iasco ◽  
Eric Rivière ◽  
Régis Guillot ◽  
Marylise Buron-Le Cointe ◽  
Jean-François Meunier ◽  
...  
Keyword(s):  
Room Temperature ◽  
Spin Crossover ◽  
Spin Crossover Complexes

Titelbild: One Shot Laser Pulse Induced Reversible Spin Transition in the Spin-Crossover Complex [Fe(C4H4N2){Pt(CN)4}] at Room Temperature (Angew. Chem. 26/2005)

2005 ◽  
Vol 117 (26) ◽  
pp. 4011-4011 ◽  
Author(s):  
Sébastien Bonhommeau ◽  
Gábor Molnár ◽  
Ana Galet ◽  
Antoine Zwick ◽  
José-Antonio Real ◽  
...  
Keyword(s):  
Laser Pulse ◽  
Room Temperature ◽  
Spin Crossover ◽  
Spin Transition

One Shot Laser Pulse Induced Reversible Spin Transition in the Spin-Crossover Complex [Fe(C4H4N2){Pt(CN)4}] at Room Temperature

2005 ◽  
Vol 44 (26) ◽  
pp. 4069-4073 ◽  
Author(s):  
Sébastien Bonhommeau ◽  
Gábor Molnár ◽  
Ana Galet ◽  
Antoine Zwick ◽  
José-Antonio Real ◽  
...  
Keyword(s):  
Laser Pulse ◽  
Room Temperature ◽  
Spin Crossover ◽  
Spin Transition
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