Search results for "spin [structure function]"

Spin state, electronic structure and bonding on C-scorpionate [Fe(II)Cl2(tpm)] catalyst: An experimental and computational study

2020

Abstract The Fe(II) spin state in the condensed phase of [Fe(II)Cl2(tpm)] (tpm = [tris(pyrazol-1-yl)methane]; 1) catalyst has been determined through a combined experimental and theoretical investigation of X-Ray Absorption Spectroscopy (XAS) at the FeL2,3-edges and NK-edge. Results indicated that in this phase a mixed singlet/triplet state is plausible. These results have been compared with the already know Fe singlet spin state of the same complex in water solution. A detailed analysis of the electronic structure and bonding mechanism of the catalyst showed that the preference for the low-spin diamagnetic ground state, strongly depends upon the ligands, the bulk solvent and the interactio…

Pressure effect investigations on spin-crossover coordination compounds

2018

International audience; The piezochromic properties of spin-crossover complexes have been recognized for a long time, with increasing pressure favouring the low spin state due to its smaller volume and therefore shifting the spin equilibrium towards higher temperatures and accelerating the relaxation at a given temperature. However, the interpretation and quantification of pressure-induced changes have been several times compromised by the relatively poor and incomplete spectral and structural information provided by the detection methods or due to the experimental difficulties related to the need for hydrostatic conditions at low temperatures. The present review is therefore primarily focu…

LIESST Effect in Fe(II) 1,2,4-Triazole Chains

2016

One-dimensional Fe(II) chains with 1,2,4-triazole as bridging ligands present the LIESST effect; i.e. their spin state switched from low-spin to high-spin after light irradiation at low temperature. This account summarizes the findings in this area of photomagnetism where 57Fe Mossbauer spectroscopy was used as a primary detection tool of the LIESST effect.

Solvent-induced high-spin transition in double-decker 3d–4f metallacrowns

2019

Element-specific magnetic spin and orbital magnetic moments of $3d\text{\ensuremath{-}}4f$ double-decker metallacrown molecules have been investigated using x-ray magnetic circular dichroism. The double-decker metallacrowns comprise one rare-earth Gd(III) or Tb(III) ion embedded between two squared scaffolds of four Ni(II) ions. We observe a strong increase of the Ni(II) moments if the molecules are dissolved in methanol, indicating a spin crossover from a low-spin to a high-spin state. In contrast, dichloromethane does not change the spin state. This result is explained by a change of the coordination environment of nickel. The comparison of charge-transfer multiplet calculations with the …

57Fe- MÖSSBAUER EMISSION SPECTROSCOPY OF AN IRON (II) COMPLEX WITH TEMPERATURE DEPENDENT SPIN STATE

1980

ANOMALOUS SPIN STATES OF IRON (II) IN MÖSSBAUER EMISSION SPECTRA OF [57 Co(2-CH3-phen),] (ClO4)2.2 H2O AND [57Co(2-CH3O-phen)3] (ClO4)2.H2O

1976

Spin Crossover Metal-Organic Frameworks with Inserted Photoactive Guests: On the Quest to Control the Spin State by Photoisomerization

2021

International audience; Three Hofmann-like metal-organic frameworks {Fe(bpac)[Pt(CN)4]}•G (bpac=1,2-bis(4-pyridyl)acetylene) were synthesized with photoisomerizable guest molecules (G = trans-azobenzene, trans-stilbene or cis-stilbene) and were characterized by elemental analysis, thermogravimetry and powder X-ray diffraction. The insertion of guest molecules and their conformation were inferred from Raman and FTIR spectra and from single-crystal X-ray diffraction and confronted with computational simulation. The magnetic and photomagnetic behaviors of the framework are significantly altered by the different guest molecules and different conformations. On the other hand, photoisomerization …

Guest Effect on Nanopatterned Spin-Crossover Thin Films

2011

International audience; Nanopatterned thin films of the metal–organic framework {Fe(bpac)[Pt(CN)4]} (bpac=bis(4‐pyridyl)acetylene) are elaborated by the combination of a sequential assembly process and a lithographic method. Raman microspectroscopy is used to probe the temperature dependence of the spin state of the iron(II) ions in the films (40–90 nm in thickness), and reveals an incomplete but cooperative spin transition comparable to that of the bulk material. Adsorption/desorption of pyridine guest molecules is found to have a substantial influence on the spin‐crossover properties of the thin layers. This interplay between host–guest and spin‐crossover properties in thin films and nano…

Hyperpolarization of cis ‐ 15 N 2 ‐Azobenzene by Parahydrogen at Ultralow Magnetic Fields**

2021

The development of nuclear spins hyperpolarization, and the search for molecules that can be efficiently hyperpolarized is an active area in nuclear magnetic resonance. In this work we present a detailed study of SABRE SHEATH (signal amplification by reversible exchange in shield enabled alignment transfer to heteronuclei) experiments on 15 N2 -azobenzene. In SABRE SHEATH experiments the nuclear spins of the target are hyperpolarized through transfer of spin polarization from parahydrogen at ultralow fields during a reversible chemical process. Azobenzene exists in two isomers, trans and cis. We show that all nuclear spins in cis-azobenzene can be efficiently hyperpolarized by SABRE at suit…

Anomalous Spin Transition Observed in Bis(2,6-bis(pyrazol-3-yl)pyridine)iron(II) Thiocyanate Dihydrate

2003

Bis(2,6-bis(pyrazol-3-yl)pyridine)iron(II) thiocyanate dihydrate undergoes a two-step singlet (1A1) ⇄ quintet (5T2) transition in which both steps are associated with thermal hysteresis. Thermal cycling of the sample results in its conversion to a second phase which displays a single-step transition with a very narrow hysteresis loop. This second phase slowly reverts to the initial phase on standing at 300 K. The interconversions are completely reversible. The spin state changes have been monitored by measurement of magnetism and Mossbauer spectra and by differential scanning calorimetry (DSC) studies.