Enforcement of a high-spin ground state for the first 3d heterometallic 12-metallacrown-4 complex

2014 ◽  
Vol 43 (41) ◽  
pp. 15308-15312 ◽  
Author(s):  
Peter Happ ◽  
Eva Rentschler
Keyword(s):  
Transition Metal ◽  
High Spin ◽  
Ground State ◽  
Spin Ground State

Applying a novel magnetic director approach, we have realized Cu(ii)(DMF)2Cl2[12-MCFe(III)N(Shi)-4](DMF)4·2DMF as the first heterometallic transition metal 12-MC-4 complex in order to provide this type of compound with a high-spin ground state.

Giant Heterometallic Cu17Mn28Cluster withTdSymmetry and High-Spin Ground State

2007 ◽  
Vol 129 (5) ◽  
pp. 1014-1015 ◽  
Author(s):  
Wen-Guo Wang ◽  
Ai-Ju Zhou ◽  
Wei-Xiong Zhang ◽  
Ming-Liang Tong ◽  
Xiao-Ming Chen ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Spin Ground State

A molecular ferromagnet with Tc = 3.3 K and an high spin ground state in trinuclear oxo-centred mixed-valence carboxylates

Polyhedron ◽  
1996 ◽  
Vol 15 (5-6) ◽  
pp. 1041-1044 ◽  
Author(s):  
Zhang Shi-Wei ◽  
Wei Yong-Ge ◽  
Liu Qun ◽  
Shao Mei-Cheng ◽  
Zhou Wen-Sheng
Keyword(s):  
High Spin ◽  
Ground State ◽  
Mixed Valence ◽  
Spin Ground State

Redox‐Induced Modulation of Exchange Interaction in a High‐Spin Ground‐State Diradical/Triradical System

2020 ◽  
Vol 26 (14) ◽  
pp. 3166-3172 ◽  
Author(s):  
Atsuki Nagata ◽  
Shinsuke Hiraoka ◽  
Shuichi Suzuki ◽  
Masatoshi Kozaki ◽  
Daisuke Shiomi ◽  
...  
Keyword(s):  
Exchange Interaction ◽  
High Spin ◽  
Ground State ◽  
Spin Ground State

scholarly journals Correction: New tetranuclear manganese clusters with [MnII3MnIII] and [MnII2MnIII2] metallic cores exhibiting low and high spin ground state

2017 ◽  
Vol 46 (12) ◽  
pp. 4118-4118
Author(s):  
M. Sobocińska ◽  
M. Antkowiak ◽  
M. Wojciechowski ◽  
G. Kamieniarz ◽  
J. Utko ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Dalton Trans ◽  
Manganese Clusters ◽  
Spin Ground State

Correction for ‘New tetranuclear manganese clusters with [MnII3MnIII] and [MnII2MnIII2] metallic cores exhibiting low and high spin ground state’ by M. Sobocińska et al., Dalton Trans., 2016, 45, 7303–7311.

scholarly journals Reprint of: High spin ground state copper(II) and nickel(II) complexes possessing the 3,5-di-tert-butyl-1,2-semiquinonate radical anion

Polyhedron ◽  
2017 ◽  
Vol 136 ◽  
pp. 176-185
Author(s):  
Royce A. Davidson ◽  
Jingjun Hao ◽  
Arnold L. Rheingold ◽  
Joel S. Miller
Keyword(s):  
High Spin ◽  
Ground State ◽  
Radical Anion ◽  
Tert Butyl ◽  
Spin Ground State

New tetranuclear manganese clusters with [MnII3MnIII] and [MnII2MnIII2] metallic cores exhibiting low and high spin ground state

2016 ◽  
Vol 45 (17) ◽  
pp. 7303-7311 ◽  
Author(s):  
M. Sobocińska ◽  
M. Antkowiak ◽  
M. Wojciechowski ◽  
G. Kamieniarz ◽  
J. Utko ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Manganese Clusters ◽  
Molecular Nanomagnets ◽  
Spin Ground State

Two tetranuclear mixed-valent clusters with the metallic [MnII3MnIII] and [MnII2MnIII2] cores were synthesized as molecular nanomagnets with the low and high spin in the ground state.

Novel Organic Ions of High-Spin States. 5. Generation of a High-Spin Ground-State Anion from an Intramolecularly Spin-Frustrated System

1996 ◽  
Vol 118 (36) ◽  
pp. 8684-8687 ◽  
Author(s):  
Toshihiro Nakamura ◽  
Takamasa Momose ◽  
Tadamasa Shida ◽  
Kazunobu Sato ◽  
Shigeaki Nakazawa ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Spin States ◽  
Organic Ions ◽  
High Spin States ◽  
Spin Ground State

scholarly journals Spin state relaxation of iron complexes: The case for OPBE and S12g

2015 ◽  
Vol 80 (11) ◽  
pp. 1399-1410 ◽  
Author(s):  
Maja Gruden ◽  
Stepan Stepanovic ◽  
Marcel Swart
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Spin State ◽  
Validation Study ◽  
Ground State ◽  
Density Functional ◽  
Iron Complexes ◽  
Functional Theory ◽  
Overall Performance ◽  
Spin Ground State

The structures of nine iron complexes that show a diversity of experimentally observed spin ground states are optimized and analyzed with Density Functional Theory (DFT). An extensive validation study of the new S12g functional is performed, with the discussion concerning the influence of the environment, geometry and its overall performance based on the comparison with the well proven OPBE functional. The OPBE and S12g functionals give the correct spin ground state for all investigated iron complexes. Since S12g performs remarkably well it can be considered a reliable tool for studying spin state energetics in complicated transition metal systems.

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