Structure and Bonding of High‐Spin Nitrosyl–Iron(II) Compounds with Mixed N,O‐Chelators and Aqua Ligands
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201601329
Abstract: High-spin nitrosyl-iron centres of the Enemark-Feltham {FeNO}(7) type exist in aqueous solution. Examples include the tentative brown-ring species [Fe(H2O)(5)(NO)](2+) and a tentative Fe-II/edta/NO species formed in the processes for scrubbing NO from flue-gas streams. Inert-gas… read more here.
Keywords: high spin; nitrosyl iron; chemistry; h2o ... See more keywords
High-Spin Nitrosyl–Iron(II) Compounds
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201700383
Abstract: Invited for the cover of this issue is the group of Peter Klufers from Ludwig-Maximilians-Universitat Munchen, Germany. The cover image shows a laboratory-scale bubble column, which was used for the nitrosation of a dissolved ferrous… read more here.
Keywords: high spin; nitrosyl iron; iron compounds; chemistry ... See more keywords
Bonding in the high spin lithium clusters: Non‐nuclear attractors play a crucial role
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27056
Abstract: The bonding in lithium high‐spin clusters contradicts the usual chemical bonding concept since there are no electron pairs between the atoms, and they are bound with parallel spin electrons. Quantum theory of atoms in molecules… read more here.
Keywords: high spin; non nuclear; lithium; spin ... See more keywords
High spin Fe(III)-doped nanostructures as T1 MR imaging probes.
Sign Up to like & getrecommendations! Published in 2022 at "Wiley interdisciplinary reviews. Nanomedicine and nanobiotechnology"
DOI: 10.1002/wnan.1858
Abstract: Magnetic Resonance Imaging (MRI) T1 contrast agents based on Fe(III) as an alternative to Gd-based compounds have been under intense scrutiny in the last 6-8 years and a number of nanostructures have been designed and proposed… read more here.
Keywords: doped nanostructures; nanostructures imaging; high spin; spin iii ... See more keywords
A new high-spin iron(III) bis(aqua) complex with the meso-tetra(para-chlorophenyl)porphyrin: X-ray crystallography, Hirshfeld surface analysis, magnetic, EPR and electrochemical properties
Sign Up to like & getrecommendations! Published in 2018 at "Research on Chemical Intermediates"
DOI: 10.1007/s11164-018-3555-1
Abstract: Chemical preparation of the bis(aqua) iron(III) metalloporphyrin [FeIII(TClPP)(H2O)2](SO3CF3)·2(Pnz)·3/4(C6H12)·2H2O (TClPP = TClPP = 5,10,15,20-tetra(para-chlorophenyl)porphyrinato and Pnz = phenazine) coordination complex (I) was made. The crystal structure of (I) was determined by X-ray single-crystal diffraction and elucidated by Hirshfeld surface approach. Magnetic, spectroscopic… read more here.
Keywords: high spin; iron iii; hirshfeld surface;
High-Spin Sulfur-Mediated Phosphorous Activation Enables Safe and Fast Phosphorus Anodes for Sodium-Ion Batteries
Sign Up to like & getrecommendations! Published in 2020 at "Chem"
DOI: 10.1016/j.chempr.2019.10.021
Abstract: Summary Evaporation-condensation of red phosphorous to prepare phosphorous-based anodes inevitably generates white P residual, severely limiting its practical application due to the serious safety concern. Rather than removing the white P residual by complicated post-treatments,… read more here.
Keywords: high spin; mediated phosphorous; spin; sulfur ... See more keywords
Theoretical study on the reduction reactions from solid char(N): The effect of the nearby group and the high-spin state
Sign Up to like & getrecommendations! Published in 2019 at "Energy"
DOI: 10.1016/j.energy.2019.116286
Abstract: Abstract A fundamental understanding of the reduction reactions from solid char(N) is proposed with the aim of providing useful information to aid in minimising NOx emission. The direct reduction with (a) nearby radical; (b) nearby… read more here.
Keywords: state; reduction; high spin; reduction reactions ... See more keywords
Electron magnetic resonance data on high-spin Mn(III; S=2) ions in porphyrinic and salen complexes modeled by microscopic spin Hamiltonian approach.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of inorganic biochemistry"
DOI: 10.1016/j.jinorgbio.2017.06.006
Abstract: The spin Hamiltonian (SH) parameters experimentally determined by EMR (EPR) may be corroborated or otherwise using various theoretical modeling approaches. To this end semiempirical modeling is carried out for high-spin (S=2) manganese (III) 3d4 ions… read more here.
Keywords: high spin; iii ions; modeling; spin ... See more keywords
First-principles study of high spin-polarization and thermoelectric efficiency of ferromagnetic CoFeCrAs quaternary Heusler alloy
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2017.10.081
Abstract: Abstract The ground state properties along with thermodynamic and thermoelectric properties of quaternary CoFeCrAs alloy within the ordered LiMgPdSn-type structure have been investigated by employing first-principles calculations. The alloy offers half-metallic ferromagnet character with an… read more here.
Keywords: high spin; principles study; study high; spin ... See more keywords
Stabilization of ferromagnetism and high spin polarization ratio in Cr-doped Fe2VSi
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2018.03.022
Abstract: Abstract Effect of Cr doping on the magnetic structure and electronic properties of Fe2VSi has been investigated by experimental measurement and first-principles calculations. In Fe2V1-xCrxSi, ferromagnetism can be stabilized with 10% Cr substitution. The Curie… read more here.
Keywords: high spin; polarization ratio; spin; ferromagnetism ... See more keywords
Pyrrolyl-based pincer complexes of iron – Synthesis and electronic structure
Sign Up to like & getrecommendations! Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2017.08.024
Abstract: Abstract Four- and five-coordinate high-spin (S = 2) Fe(II) complexes bearing the pyrrolyl-derived tBuPNP pincer ligand [tBuPNP = 2,5-(tBu2PCH2)2(C4H2N)] have been prepared. All three complexes were characterized by X-ray diffraction, zero-field 57Fe Mossbauer spectroscopy and solid-state magnetic susceptibility studies.… read more here.
Keywords: high spin; tbupnp; pyrrolyl; spectroscopy ... See more keywords