High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)–Mn(iv) magnetic exchange: synthesis, structures and magnetism

2009 ◽  
pp. 3182 ◽  
Author(s):  
Ai-Ju Zhou ◽  
Jun-Liang Liu ◽  
Radovan Herchel ◽  
Ji-Dong Leng ◽  
Ming-Liang Tong
Keyword(s):  
High Spin ◽  
Magnetic Exchange

scholarly journals Atomic Vacancy Defect, Frenkel Defect and Transition Metals (Sc, V, Zr) Doping in Ti4N3 MXene Nanosheet: A First-Principles Investigation

2020 ◽  
Vol 10 (7) ◽  
pp. 2450
Author(s):  
Tingyan Zhou ◽  
Wan Zhao ◽  
Kun Yang ◽  
Qian Yao ◽  
Yangjun Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
High Spin ◽  
First Principles ◽  
Density Functional ◽  
Vacancy Defect ◽  
Potential Candidate ◽  
Magnetic Exchange ◽  
Type Defect ◽  
Spin Polarizability ◽  
Atomic Vacancy

Using first-principles calculations based on the density functional theory, the effects of atomic vacancy defect, Frenkel-type defect and transition metal Z (Z = Sc, V and Zr) doping on magnetic and electric properties of the Ti4N3 MXene nanosheet were investigated comprehensively. The surface Ti and subsurface N atomic vacancies are both energetically stable based on the calculated binding energy and formation energy. In addition, the former appears easier than the latter. They can both enhance the magnetism of the Ti4N3 nanosheet. For atom-swapped disordering, the surface Ti-N swapped disordering is unstable, and then the Frenkel-type defect will happen. In the Frenkel-type defect system, the total magnetic moment decreases due to the enhancement of indirect magnetic exchange between surface Ti atoms bridged by the N atom. A relatively high spin polarizability of approximately 70% was detected. Furthermore, the doping effects of transition metal Z (Z = Sc, V and Zr) on Ti4N3 nanosheet are explored. All doped systems are structurally stable and have relatively large magnetism, which is mainly induced by the directed magnetic exchange between surface Z and Ti atoms. Especially in the doped Ti4N3-Sc system, the high spin polarizability is still reserved, suggesting that this doped system can be a potential candidate for application in spintronics.

Magnetic exchange and anisotropic susceptibilities in high-spin binuclear cobalt II species

1978 ◽  
Vol 360 (1701) ◽  
pp. 161-189 ◽  
Keyword(s):  
High Spin ◽  
Ligand Field ◽  
Magnetic Exchange ◽  
Field Perturbation ◽  
Magnetic Susceptibilities ◽  
The One ◽  
Exchange Parameters

A model is described for the calculation of the principal magnetic susceptibilities of exchange-coupled binuclear cobaltn species. The two-centre exchange calculation is performed within a basis constructed from appropriately antisymmetrized products of the one-centre functions belonging to the 4 F + 4 P terms. The exchange parameters refer to interactions between separate one-centre orbitals, in the spirit of Anderson’s kinetic and potential exchange pathways, so bearing some resemblance to the angular overlap parameters used to describe the one-centre, ligand-field perturbation.

scholarly journals Inter-ring interactions in [Fe(TalkylP)(Cl)] (alkyl = ethyl, n-propyl, n-hexyl) complexes: control bymeso-substituted groups

2010 ◽  
Vol 14 (01) ◽  
pp. 115-122 ◽  
Author(s):  
Ming Li ◽  
Teresa J. Neal ◽  
Noelle Ehlinger ◽  
Charles E. Schulz ◽  
W. Robert Scheidt
Keyword(s):  
High Spin ◽  
Molecular Structures ◽  
Crystal Data ◽  
Magnetic Exchange ◽  
Magnetic Susceptibilities ◽  
Dimeric Unit ◽  
Unit Change ◽  
Alkyl Groups ◽  
High Spin Iron

Syntheses, molecular structures and magnetic susceptibilities of three meso-substituted high-spin iron(III) porphyrinate complexes ([ Fe(TEtP)(Cl) ], [ Fe(TPrP)(Cl) ], and [ Fe(THexP)(Cl) ]) are described. It was determined that the inter-ring interactions within each dimeric unit change upon alteration of the alkyl groups at the meso positions. Magnetic exchange couplings between iron centers of the dimers are in accord with the trends in structural inter-ring geometries. Crystal data for [ Fe(TEtP)(Cl) ]: a = 10.1710(5) Å, b = 11.309(3) Å, c = 12.170(3) Å, α = 91.774(9)°, β = 113.170(14)°, γ = 112.149(9)°, V = 1165.2(4) Å3, triclinic, [Formula: see text], Z = 2, R1= 0.0844 and wR2= 0.2073 for observed data. Crystal data for [ Fe(TPrP)(Cl) ]: a = 13.040(2) Å, b = 15.221(2) Å, c = 14.6681(9) Å, β = 109.997(11)°, V = 2735.9(7) Å3, monoclinic, P21/ n , Z = 4, R1= 0.0477 and wR2= 0.1176 for observed data. Crystal data for [ Fe(THexP)(Cl) ]: a = 10.246(7) Å, b = 12.834(4) Å, c = 17.420(15) Å, α = 69.74(3)°, β = 87.52(4)°, γ = 84.89(3)°, V = 2140(2) Å3, triclinic, [Formula: see text], Z = 2, R1= 0.1024 and wR2= 0.2659 for observed data.

The influence of ligand field effects on the magnetic exchange of high-spin Co(ii)-semiquinonate complexes

2006 ◽  
pp. 722-729 ◽  
Author(s):  
Alessandro Bencini ◽  
Alessandra Beni ◽  
Ferdinando Costantino ◽  
Andrea Dei ◽  
Dante Gatteschi ◽  
...  
Keyword(s):  
High Spin ◽  
Ligand Field ◽  
Magnetic Exchange ◽  
Field Effects

Evidence for high-spin-to-low-spin transition under pressure in Fe 72 Pt 28 Invar alloy

2000 ◽  
Vol 80 (2) ◽  
pp. 155-163 ◽  
Author(s):  
S. Odin, F. Baudelet, E. Dartyge, J. P
Keyword(s):  
High Spin ◽  
Spin Transition ◽  
Invar Alloy

HIGH SPIN ISOMERS IN 153Er

1980 ◽  
Vol 41 (C10) ◽  
pp. C10-39-C10-42 ◽  
Author(s):  
D. Horn ◽  
G. R. Young ◽  
C. J. Lister ◽  
C. Baktash
Keyword(s):  
High Spin ◽  
Spin Isomers

DESCRIPTION OF HIGH SPIN STATES

1980 ◽  
Vol 41 (C10) ◽  
pp. C10-143-C10-154 ◽  
Author(s):  
A. Faessler
Keyword(s):  
High Spin ◽  
Spin States ◽  
High Spin States
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