The high-spin (5T2) .dblharw. low-spin (1A1) transition in solid bis(1,10-phenanthroline-2-carbaldehyde phenylhydrazone) iron(II) diperchlorate. Simultaneous change of molecular spin state and crystallographic structure

1980 ◽  
Vol 102 (14) ◽  
pp. 4681-4687 ◽  
Author(s):  
E. Koenig ◽  
G. Ritter ◽  
W. Irler ◽  
H. A. Goodwin
Keyword(s):  
High Spin ◽  
Spin State ◽  
Crystallographic Structure ◽  
Molecular Spin ◽  
Simultaneous Change

scholarly journals Synthesis of 4-substituted azopyridine-functionalized Ni(II)-porphyrins as molecular spin switches

2020 ◽  
Vol 16 ◽  
pp. 2589-2597
Author(s):  
Jannis Ludwig ◽  
Tobias Moje ◽  
Fynn Röhricht ◽  
Rainer Herges
Keyword(s):  
Carboxylic Acid ◽  
High Spin ◽  
Spin State ◽  
Intramolecular Coordination ◽  
Carboxylic Acid Groups ◽  
Molecular Spin ◽  
Switching Efficiency ◽  
Spin Switching

We present the synthesis and the spin switching efficiencies of Ni(II)-porphyrins substituted with azopyridines as covalently attached photoswitchable ligands. The molecules are designed in such a way that the azopyridines coordinate to the Ni ion if the azo unit is in cis configuration. For steric reasons no intramolecular coordination is possible if the azopyridine unit adopts the trans configuration. Photoisomerization of the azo unit between cis and trans is achieved upon irradiation with 505 nm (trans→cis) and 435 nm (cis→trans). Concurrently with the isomerization and coordination/decoordination, the spin state of the Ni ion switches between singlet (low-spin) and triplet (high-spin). Previous studies have shown that the spin switching efficiency is strongly dependent on the solvent and on the substituent at the 4-position of the pyridine unit. We now introduced thiol, disulfide, thioethers, nitrile and carboxylic acid groups and investigated their spin switching efficiency.

scholarly journals Synthesis of 4-substituted azopyridine-functionalized Ni(II) porphyrins as molecular spin switches

2020 ◽  
Author(s):  
Jannis Ludwig ◽  
Tobias Moje ◽  
Fynn Röhricht ◽  
Rainer Herges
Keyword(s):  
Carboxylic Acid ◽  
High Spin ◽  
Spin State ◽  
Intramolecular Coordination ◽  
Carboxylic Acid Groups ◽  
Molecular Spin ◽  
Switching Efficiency ◽  
Spin Switching

We present the synthesis and the spin switching efficiencies of Ni(II)-porphyrins substituted with azopyridines as covalently attached photoswitchable ligands. The molecules are designed in such a way that the azopyridines coordinate to the Ni ion if the azo unit is in cis configuration. For steric reasons no intramolecular coordination is possible if the azopyridine unit adopts the trans configuration. Photoisomerization of the azo unit between cis and trans is achieved upon irradiation with 505 nm (trans→cis) and 435 nm (cis→trans). Concurrently with the isomerization and coordination/decoordination, the spin state of the Ni ion switches between singlet (low-spin) and triplet (high-spin). Previous studies have shown that the spin switching efficiency is strongly dependent on the solvent and on the substituent at the 4-position of the pyridine unit. We now introduced thiol, disulfide, thioethers, nitrile and carboxylic acid groups and investigated their spin switching efficiency.

Theoretical study on the reduction reactions from solid char(N): The effect of the nearby group and the high-spin state

Energy ◽  
2019 ◽  
Vol 189 ◽  
pp. 116286 ◽  
Author(s):  
Hai Zhang ◽  
Lei Luo ◽  
Jiaxun Liu ◽  
Anyao Jiao ◽  
Jianguo Liu ◽  
...  
Keyword(s):  
High Spin ◽  
Spin State ◽  
Theoretical Study ◽  
High Spin State ◽  
Reduction Reactions

AFM Imaging of Molecular Spin-State Changes through Quantitative Thermomechanical Measurements

2014 ◽  
Vol 26 (18) ◽  
pp. 2889-2893 ◽  
Author(s):  
Edna M. Hernández ◽  
Carlos M. Quintero ◽  
Olena Kraieva ◽  
Christophe Thibault ◽  
Christian Bergaud ◽  
...  
Keyword(s):  
Spin State ◽  
Afm Imaging ◽  
Molecular Spin ◽  
State Changes

scholarly journals Supercooled high spin state in metallo-supramolecular assemblies

2007 ◽  
Vol 63 (a1) ◽  
pp. s202-s202
Author(s):  
U. Pietsch ◽  
M. Lommel ◽  
Y. Bodethin ◽  
D. Kurth ◽  
G. Schwarzl ◽  
...  
Keyword(s):  
High Spin ◽  
Spin State ◽  
High Spin State ◽  
Supramolecular Assemblies

High-Spin State Fe(III) Doped TiO2 for Electrocatalytic Nitrogen Fixation Induced by Surface F Modification

2021 ◽  
pp. 120809
Author(s):  
Guangxin Song ◽  
Rui Gao ◽  
Zhao Zhao ◽  
Yujun Zhang ◽  
Huaqiao Tan ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
High Spin ◽  
Spin State ◽  
High Spin State ◽  
Doped Tio2

Large- Scale ab initio Simulations of Fe-doped SrTiO3 Perovskites

2002 ◽  
Vol 731 ◽  
Author(s):  
R.A. Evarestov ◽  
R.I. Eglitis ◽  
S. Piskunov ◽  
E. A. Kotomin ◽  
G. Borstel
Keyword(s):  
Energy Level ◽  
Ab Initio ◽  
High Spin ◽  
Spin State ◽  
Large Scale ◽  
Covalent Bonding ◽  
Hartree Fock ◽  
Ab Initio Simulations ◽  
Displacement Mode ◽  
Jahn Teller

AbstractUsing the Unrestricted Hartree-Fock method and supercells containing up to 160 atoms, we calculated the energy level positions in the gap and atomic geometry for the Fe4+ impurity substituting for a host Ti atom in SrTiO3. In agreement with experiment, the high spin (S=2) state is much lower in energy than the zero-spin state. The energy level positions strongly depend on the asymmetric displacement mode of the six nearest O ions which is a combination of the Jahn-Teller and breathing modes. A considerable covalent bonding between the Fe ion and four nearest O ions takes place.

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