Theoretical Study of Thermal Spin Transition between the Singlet State and the Quintet State in the [Fe(2-picolylamine)3]2+Spin Crossover System

2010 ◽  
Vol 114 (18) ◽  
pp. 5862-5869 ◽  
Author(s):  
Yoshihito Shiota ◽  
Daisuke Sato ◽  
Gergely Juhász ◽  
Kazunari Yoshizawa
Keyword(s):  
Spin Crossover ◽  
Theoretical Study ◽  
Singlet State ◽  
Spin Transition ◽  
Quintet State

Coordination of Pyridine-Substituted Pyrazoles and Their Influence on the Spin State of Iron(II)

1988 ◽  
Vol 41 (11) ◽  
pp. 1645 ◽  
Author(s):  
KH Sugiyarto ◽  
HA Goodwin
Keyword(s):  
Hydrogen Bonding ◽  
Cooling Rate ◽  
High Spin ◽  
Low Temperatures ◽  
Singlet State ◽  
Variable Temperature ◽  
Spin Transition ◽  
Spectral Studies ◽  
Quintet State ◽  
Substituted Pyrazoles

Iron(II) and nickel(II) [MN6]X2 type complexes have been prepared from 2-(pyrazol-1-yl]pyridine (1pp), 2-(pyrazol-1-yl) imidazoline (pi), 2- (pyrazol-3-yl)pyridine (3pp) and 2,6-bis(pyrazol-3-yl)pyridine ( bpp ). Variable-temperature magnetic and Mossbauer spectral studies establish that [Fe(1pp)3]X2 is low spin and [Fe(pi)3]X2 is high spin over an extended temperature range, while both [Fe(3pp)3]X2 and [Fe( bpp )2]X2 undergo temperature-induced low-spin ↔ high-spin transitions. The nature of the transition depends on the extent of hydration and for salts of both cations the singlet state is generally stabilized as the extent of hydration increases. Hydrogen bonding effects are believed to be responsible for this. For anhydrous [Fe( bpp )2] [BF4]2 the transition is discontinuous and associated with hysteresis with Tc ↓ 173 K for decreasing temperature and Tc ↑ 183 K for increasing temperatures. The transition to the singlet state species is complete at low temperatures provided that the cooling rate is relatively slow. Rapid cooling to 77 K results in the trapping of a fraction of metastable quintet state species. For all other species containing either [Fe(3pp)3]2+ or [Fe( bpp )2]2+ the spin transition is continuous. Spectral data for [NiN6]X2 complexes establish an order of field strengths for the ligands pi < 3pp < 1pp < bpp , which, for the bidentate species only, is consistent with the observed electronic properties of the corresponding [FeN6]X2 complexes.

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.

scholarly journals Electrical read-out of light-induced spin transition in thin film spin crossover/graphene heterostructures

2021 ◽  
Author(s):  
Nikita Konstantinov ◽  
Arthur Tauzin ◽  
Ulrich Nguetchuissi Noumbé ◽  
Diana Dragoe ◽  
Bohdan Kundys ◽  
...  
Keyword(s):  
Thin Film ◽  
Spin Crossover ◽  
Spin Transition ◽  
Switching Device ◽  
Electronic Switching ◽  
Spin Transitions

An opto-electronic switching device made from an evaporated spin crossover thin film over a graphene sensor is presented. The electrical transduction of both temperature and light-induced reversible spin transitions are demonstrated.

Spin-crossover in a trans-[FeL2(NCS)2] family (L = triaryltriazole): remote substituent effects on spin transition modes and temperature

2013 ◽  
Vol 42 (28) ◽  
pp. 10144 ◽  
Author(s):  
Guo-Ping Shen ◽  
Li Qi ◽  
Lei Wang ◽  
Yan Xu ◽  
Jing-Jing Jiang ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Spin Transition ◽  
Substituent Effects ◽  
Transition Modes ◽  
Remote Substituent

scholarly journals Thermal and near-infrared light induced spin crossover in a mononuclear iron(ii) complex with a tetrathiafulvalene-fused dipyridophenazine ligand

2016 ◽  
Vol 45 (28) ◽  
pp. 11267-11271 ◽  
Author(s):  
F. Pointillart ◽  
X. Liu ◽  
M. Kepenekian ◽  
B. Le Guennic ◽  
S. Golhen ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Near Infrared ◽  
Spin Transition ◽  
Infrared Light ◽  
Near Infrared Light ◽  
Mononuclear Iron

A thermal and photo-induced spin transition in a tetrathiafulvalene-based Fe(ii) complex.

Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS–HS–LS] Intermediate Phase

2015 ◽  
Vol 54 (11) ◽  
pp. 5145-5147 ◽  
Author(s):  
Jie Luan ◽  
Jian Zhou ◽  
Zhan Liu ◽  
Bowen Zhu ◽  
Huisi Wang ◽  
...  
Keyword(s):  
Spin Crossover ◽  
Intermediate Phase ◽  
Spin Transition

scholarly journals Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes

2019 ◽  
Author(s):  
Tim Stauch ◽  
Romit Chakraborty ◽  
Martin Head-Gordon
Keyword(s):  
Carbon Monoxide ◽  
Molecular Electronics ◽  
Spin Crossover ◽  
Strong Field ◽  
Spin Transition ◽  
Nuclear Forces ◽  
Chemical Modeling ◽  
Metal Centers ◽  
State Switching ◽  
External Stimuli

Spin state switching on external stimuli is a phenomenon with wide applicability ranging from molecular electronics to gas activation in nanoporous frameworks. Here we model spin crossover as a function of hydrostatic pressure in octahedrally coordinated transition metal centers by applying a field of effective nuclear forces that compress the molecule towards its centroid. For spin crossover in first-row transition metals coordinated by hydrogen, nitrogen, and carbon monoxide, we find the pressure required for spin transition to be a function of ligand position in the spectrochemical sequence. While pressures on the order of 1 GPa are required to flip spins in homogeneously ligated octahedral sites, we demonstrate a five-fold decrease in spin transition pressure for the archetypal strong field ligand carbon monoxide in octahedrally coordinated Fe<sup>2+</sup> in [Fe(II)(NH<sub>3</sub>)<sub>5</sub>CO]<sup>2+</sup>.

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
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