Optically Switchable Molecular Solids:  Photoinduced Spin-Crossover, Photochromism, and Photoinduced Magnetization

2003 ◽  
Vol 36 (9) ◽  
pp. 692-700 ◽  
Author(s):  
Osamu Sato
Keyword(s):  
Spin Crossover ◽  
Molecular Solids ◽  
Photoinduced Magnetization

scholarly journals Crystal packing and spin-crossover in some molecular solids. Trends and new features

2016 ◽  
Vol 72 (a1) ◽  
pp. s110-s111
Author(s):  
Philippe Guionneau ◽  
Arnaud Grosjean ◽  
Elodie Tailleur ◽  
Mathieu Marchivie ◽  
Sabine Lakhloufi ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Crystal Packing ◽  
Molecular Solids

Elastic Ising-like model for the nucleation and domain formation in spin crossover molecular solids

2013 ◽  
Vol 222 (5) ◽  
pp. 1137-1159 ◽  
Author(s):  
W. Nicolazzi ◽  
J. Pavlik ◽  
S. Bedoui ◽  
G. Molnár ◽  
A. Bousseksou
Keyword(s):  
Spin Crossover ◽  
Molecular Solids ◽  
Domain Formation

scholarly journals Multiscale structural view of phase transitions in spin-crossover molecular solids

2017 ◽  
Vol 73 (a2) ◽  
pp. C1377-C1377
Author(s):  
Philippe Guionneau ◽  
Mathieu Marchivie ◽  
Elodie Tailleur ◽  
Patrick Rosa ◽  
Guillaume Chastanet
Keyword(s):  
Phase Transitions ◽  
Spin Crossover ◽  
Molecular Solids

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).

Principles of time resolved cars studies of molecular solids

1985 ◽  
Vol 82 ◽  
pp. 153-158 ◽  
Author(s):  
S.P. Velsko ◽  
R.M. Hochstrasser
Keyword(s):  
Molecular Solids ◽  
Time Resolved

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.

A Robust, Porous and Solution-Processable Molecular Crystal Containing Multiple Donor-Acceptor Units

2019 ◽  
Author(s):  
Shengxian Cheng ◽  
Xiaoxia Ma, ◽  
Yonghe He ◽  
Jun He ◽  
Matthias Zeller ◽  
...  
Keyword(s):  
Molecular Crystal ◽  
Bulk Sample ◽  
Intermolecular Forces ◽  
Close Packing ◽  
Molecular Solids ◽  
Molecular Scaffold ◽  
Excellent Thermal Stability ◽  
Crystalline Order ◽  
Donor Acceptor ◽  
Open Packing

We report a curious porous molecular crystal that is devoid of the common traits of related systems. Namely, the molecule does not rely on directional hydrogen bonds to enforce open packing; and it offers neither large concave faces (i.e., high internal free volume) to frustrate close packing, nor any inherently built-in cavity like in the class of organic cages. Instead, the permanent porosity (as unveiled by the X-ray crystal structure and CO<sub>2</sub> sorption studies) arises from the strong push-pull units built into a Sierpinski-like molecule that features four symmetrically backfolded (<b>SBF</b>) side arms. Each side arm consists of the 1,1,4,4-tetracyanobuta-1,3-diene acceptor (TCBD) coupled with the dimethylaminophenyl donor, which is conveniently installed by a cycloaddition-retroelectrocyclization (CA-RE) reaction. Unlike the poor/fragile crystalline order of many porous molecular solids, the molecule here readily crystallizes and the crystalline phase can be easily deposited into thin films from solutions. Moreover, both the bulk sample and thin film exhibit excellent thermal stability with the porous crystalline order maintained even at 200 °C. The intermolecular forces underlying this robust porous molecular crystal likely include the strong dipole interactions and the multiple C···N and C···O short contacts afforded by the strongly donating and accepting groups integrated within the rigid molecular scaffold.

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