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Published in 2017 at "Polyhedron"
DOI: 10.1016/j.poly.2016.11.009
Abstract: Abstract Five ligands as monosubstituted derivatives of the basic skeleton of 2,6-bis(2-benzimidazyl)pyridine were synthesized, and characterized by NMR and IR spectra along with the X-ray structure analysis. Their complexation gave a set of hexacoordinate Fe(II)…
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Keywords:
complexes formed;
pyridine;
low spin;
formed monosubstitued ... See more keywords
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1
Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c01184
Abstract: A new theoretical approach is presented and applied for the simulation of Fe(II) low-spin (LS, singlet, t2g6eg0) → high-spin (HS, quintet, t2g4eg2) photoswitching dynamics of the octahedral model complex [Fe(NCH)6]2+. The utilized synergistic methodology heavily…
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Keywords:
high spin;
methodology;
low spin;
simulation low ... See more keywords
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Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.1c23793
Abstract: Iron-based Prussian blue (FeHCF) has great application potential in the large-scale production of sodium-ion (Na+) batteries because of its high theoretical capacity and abundant Fe ore resources. However, the Fe(CN)6 vacancies and crystal water seriously…
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Keywords:
based prussian;
low spin;
cathode material;
prussian blue ... See more keywords
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2
Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c02662
Abstract: The reactions of transition metal complexes underpin numerous synthetic processes and catalytic transformations. Typically, this reactivity involves the participation of empty and filled molecular orbitals centered on the transition metal. Kinetically stabilized species, such as…
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Keywords:
aluminum;
iron;
low spin;
metal ... See more keywords
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3
Published in 2023 at "Chemical Science"
DOI: 10.1039/d3sc00561e
Abstract: The novel vacuum-evaporable complex [Fe(pypypyr)2] (pypypyr = bipyridyl pyrrolide) was synthesised and analysed as bulk material and as a thin film. In both cases, the compound is in its low-spin...
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Keywords:
vacuum evaporable;
energy gap;
low spin;
inverse energy ... See more keywords
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2
Published in 2022 at "Physical Review B"
DOI: 10.1103/physrevb.105.064406
Abstract: We discuss the thermodynamic and magnetic properties of a competing high-spin/low-spin two-orbital two-electron model on a square-lattice possibly relevant to the nickelates such as Ba2NiO2(AgSe)2 (BNOAS). We focus on parameter regimes where a high-spin (S…
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Keywords:
competing high;
spin low;
low spin;
spin ... See more keywords
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1
Published in 2021 at "Physical Review C"
DOI: 10.1103/physrevc.104.024322
Abstract: Background: Investigation of the $_{62}^{140}\mathrm{Sm}_{78}$ nucleus, situated in the area close to the magic $N=82$ neutron shell, offers the opportunity to find and study interesting phenomena resulting from the interplay of collective and other degrees…
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Keywords:
ensuremath;
low spin;
softness nonaxial;
deformation ... See more keywords
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2
Published in 2018 at "Physical Review C"
DOI: 10.1103/physrevc.97.054319
Abstract: M. Spieker, ∗ P. Petkov, 2 E. Litvinova, 4 C. Müller-Gatermann, S.G. Pickstone, S. Prill, P. Scholz, and A. Zilges Institut für Kernphysik, Universität zu Köln, Zülpicher Straße 77, D-50937 Köln, Germany Horia Hulubei National…
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Keywords:
shape coexistence;
spin states;
low spin;
physics ... See more keywords
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Published in 2020 at "Acta Crystallographica. Section C, Structural Chemistry"
DOI: 10.1107/s2053229620006452
Abstract: The FeIIIS2N2O2 chromophore of ammonium bis[salicylaldehyde thiosemicarbazonato(2−)]iron(III) contains two O,N,S-donating salicylaldehyde thiosemicarbazonate(2−) ligands in perpendicular planes, with the O and S atoms in cis and the N atoms in trans positions. The FeIII ion is…
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Keywords:
bis salicylaldehyde;
ammonium bis;
salicylaldehyde thiosemicarbazonato;
low spin ... See more keywords
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Published in 2020 at "Experimental oncology"
DOI: 10.32471/exp-oncology.2312-8852.vol-42-no-4.15310
Abstract: AIM To determine the content of low-spin form of cytochrome P450 in primary tumors and liver metastases of the patients with metastatic colorectal cancer (mCRC) and and assess its prognostic significance. MATERIALS AND METHODS The levels…
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Keywords:
liver metastases;
low spin;
primary tumors;
p450 ... See more keywords