Molecular spin frustration in mixed-chelate Fe5 and Fe6 oxo clusters with high ground state spin values

Singh, Alok P.; Joshi, Rajendra P.; Abboud, Khalil A.; Peralta, Juan E.; Christou, George

doi:10.1016/j.poly.2019.114182

Title: Molecular spin frustration in mixed-chelate Fe5 and Fe6 oxo clusters with high ground state spin values

Journal Article · 23 October 2019 · Polyhedron

DOI: https://doi.org/10.1016/j.poly.2019.114182 · OSTI ID:1601986

Singh, Alok P. ^[1]; Joshi, Rajendra P. ^[2]; Abboud, Khalil A. ^[1]; Peralta, Juan E. ^[2]; Christou, George ^[1]

Univ. of Florida, Gainesville, FL (United States)
Central Michigan Univ., Mount Pleasant, MI (United States)

The synthesis, structures, and magnetic properties are reported of three new polynuclear Fe^III complexes containing the anions of picolinic acid (picH) and triethanolamine (teaH₃) as chelates. The complexes [Fe₆O₂(OH)₂(O₂CR)₄(pic)₄(teaH)₂] (R = Me (1), Ph (2)) and [Fe₅O₂(O₂CBu^t)₄(pic)3(teaH)₂] (3) were obtained from the reaction of [Fe₃O(O₂CR)6(H₂O)₃](NO₃) (R = Me, Ph, But) with picH and teaH3 in a 1:2:1 ratio in MeCN. The core of 1 and 2 consists of an [Fe₄(µ₃-O)₂]⁸⁺ ‘planar-butterfly’ unit to which is attached an Fe atom on either side by bridging O atoms. The core of 3 consists of an [Fe₅(µ₃-O)₂]¹¹⁺ unit comprising two near-perpendicular vertex-sharing [Fe₃(µ₃-O)]⁷⁺ triangular units. Variable-temperature (T) and -field (H) solid-state dc and ac magnetization (M) studies in the 5.0–300 K temperature range revealed that 1 and 2 have an S = 5 ground state spin whereas 3 has an S = 5/2 ground state. J_ij exchange couplings were calculated by DFT and a magnetostructural correlation (MSC) for polynuclear Fe^III/O complexes. This allowed rationalization of the observed ground states from the analysis of the spin frustration effects operative, and provided good input values for fits of the experimental χMT vs T data to obtain the J_ij values.

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Research Organization:: Central Michigan Univ., Mount Pleasant, MI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0018331

OSTI ID:: 1601986

Alternate ID(s):: OSTI ID: 1702668

Journal Information:: Polyhedron, Vol. 176, Issue C; ISSN 0277-5387

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 4 works

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References (74)

Carboxylate-Bridged Diiron(II) Complexes: Synthesis, Characterization, and O ₂ -Reactivity of Models for the Reduced Diiron Centers in Methane Monooxygenase and Ribonucleotide Reductase Herold, Susanna; Lippard, Stephen J. Journal of the American Chemical Society, Vol. 119, Issue 1 https://doi.org/10.1021/ja9628563	journal	January 1997
Structural and Functional Models of the Dioxygen-Activating Centers of Non-Heme Diiron Enzymes Ribonucleotide Reductase and Soluble Methane Monooxygenase Lee, Dongwhan; Lippard, Stephen J. Journal of the American Chemical Society, Vol. 120, Issue 46 https://doi.org/10.1021/ja9831094	journal	November 1998
A Diiron Center Stabilized by a Bis-TPA Ligand as a Model of Soluble Methane Monooxygenase: Predominant Alkene Epoxidation with H2O2 Kodera, Masahito; Itoh, Motoharu; Kano, Koji Angewandte Chemie International Edition, Vol. 44, Issue 43 https://doi.org/10.1002/anie.200501825	journal	November 2005
A synthetic precedent for the [FeIV2( -O)2] diamond core proposed for methane monooxygenase intermediate Q Xue, G.; Wang, D.; De Hont, R. Proceedings of the National Academy of Sciences, Vol. 104, Issue 52 https://doi.org/10.1073/pnas.0708516105	journal	December 2007
A Synthetic Model for the Putative Fe ^IV ₂ O ₂ Diamond Core of Methane Monooxygenase Intermediate Q Costas, Miquel; Rohde, Jan-Uwe; Stubna, Audria Journal of the American Chemical Society, Vol. 123, Issue 51 https://doi.org/10.1021/ja017204f	journal	December 2001
Diiron(III) complexes of tridentate 3N ligands as functional models for methane monooxygenases: Effect of the capping ligand on hydroxylation of alkanes Sankaralingam, Muniyandi; Palaniandavar, Mallayan Polyhedron, Vol. 67 https://doi.org/10.1016/j.poly.2013.08.067	journal	January 2014
A novel diiron complex as a functional model for hemerythrin Arii, Hidekazu; Nagatomo, Shigenori; Kitagawa, Teizo Journal of Inorganic Biochemistry, Vol. 82, Issue 1-4 https://doi.org/10.1016/S0162-0134(00)00163-X	journal	November 2000
Synthesis and Spectroscopic Studies of Non-Heme Diiron(III) Species with a Terminal Hydroperoxide Ligand: Models for Hemerythrin Mizoguchi, Tadashi J.; Kuzelka, Jane; Spingler, Bernhard Inorganic Chemistry, Vol. 40, Issue 18 https://doi.org/10.1021/ic010076b	journal	August 2001
Modeling non-heme iron proteins He, Chuan; Mishina, Yukiko Current Opinion in Chemical Biology, Vol. 8, Issue 2 https://doi.org/10.1016/j.cbpa.2004.02.002	journal	April 2004
Structure and reactivity of a bis(.mu.-acetato-O,O')diiron(II) complex, [Fe2(O2CCH3)2(TPA)2](BPh4)2. A model for the diferrous core of ribonucleotide reductase Menage, Stephane; Zang, Yan; Hendrich, Michael P. Journal of the American Chemical Society, Vol. 114, Issue 20 https://doi.org/10.1021/ja00046a026	journal	September 1992
Structural and Spectroscopic Characterization of (μ-Hydroxo or μ-Oxo)(μ-peroxo)diiron(III) Complexes: Models for Peroxo Intermediates of Non-Heme Diiron Proteins Zhang, Xi; Furutachi, Hideki; Fujinami, Shuhei Journal of the American Chemical Society, Vol. 127, Issue 3 https://doi.org/10.1021/ja045594a	journal	January 2005
The Road to Non-Heme Oxoferryls and Beyond ^† Que, Lawrence Accounts of Chemical Research, Vol. 40, Issue 7 https://doi.org/10.1021/ar700024g	journal	July 2007
Synthetic Models for Non-Heme Carboxylate-Bridged Diiron Metalloproteins: Strategies and Tactics Tshuva, Edit Y.; Lippard, Stephen J. Chemical Reviews, Vol. 104, Issue 2 https://doi.org/10.1021/cr020622y	journal	February 2004
High-nuclearity homometallic iron and nickel clusters: Fe22 and Ni24 complexes from the use of N-methyldiethanolamine Foguet-Albiol, Dolos; Abboud, Khalil A.; Christou, George Chemical Communications, Issue 34 https://doi.org/10.1039/b507748f	journal	January 2005
Molecular spin frustration in the [Fe4O2]8+ core: synthesis, structure, and magnetochemistry of tetranuclear iron-oxo complex [Fe4O2(O2CR)7(bpy)2](C1O4) (R = Me, Ph) McCusker, James K.; Vincent, John B.; Schmitt, Edward A. Journal of the American Chemical Society, Vol. 113, Issue 8 https://doi.org/10.1021/ja00008a033	journal	April 1991
Magnetism of large iron-oxo clusters Gatteschi, Dante; Caneschi, Andrea; Sessoli, Roberta Chemical Society Reviews, Vol. 25, Issue 2 https://doi.org/10.1039/cs9962500101	journal	January 1996
Competing spin interactions and degenerate frustration for discrete molecular species Kahn, Olivier Chemical Physics Letters, Vol. 265, Issue 1-2 https://doi.org/10.1016/S0009-2614(96)01424-8	journal	January 1997
Structures of binuclear and tetranuclear iron(III) complexes as models for ferritin core formation Murch, Bruce P.; Boyle, Paul D.; Que, Lawrence Journal of the American Chemical Society, Vol. 107, Issue 23 https://doi.org/10.1021/ja00309a061	journal	November 1985
Fe(III).ATP complexes. Models for ferritin and other polynuclear iron complexes with phosphate. Mansour, A. N.; Thompson, C.; Theil, E. C. Journal of Biological Chemistry, Vol. 260, Issue 13 https://doi.org/10.1016/S0021-9258(17)39549-2	journal	July 1985
A comparison of an undecairon(III) complex with the ferritin iron core Islam, Q. T.; Sayers, D. E.; Theil, E. C. Journal of Inorganic Biochemistry, Vol. 36, Issue 1 https://doi.org/10.1016/0162-0134(89)80012-1	journal	May 1989
Synthesis, Structure, and Electronic Properties of a Mixed-Valent Dodecairon Oxo Complex, a Model for the Biomineralization of Ferritin Taft, Kingsley L.; Papaefthymiou, Georgia C.; Lippard, Stephen J. Inorganic Chemistry, Vol. 33, Issue 7 https://doi.org/10.1021/ic00085a049	journal	March 1994
Synthesis and structures of trinuclear and μ-hydroxo pentanuclear iron(II) carboxylates as models of reduced ferritin and white rust Lachicotte, Rene J.; Hagen, Karl S. Inorganica Chimica Acta, Vol. 263, Issue 1-2 https://doi.org/10.1016/S0020-1693(97)05703-4	journal	October 1997
Iron oxidation chemistry in ferritin. Increasing Fe/O2 stoichiometry during core formation. Xu, B.; Chasteen, N. D. Journal of Biological Chemistry, Vol. 266, Issue 30 https://doi.org/10.1016/S0021-9258(18)54877-8	journal	October 1991
Ferritin: Structure, Gene Regulation, and Cellular Function in Animals, Plants, and Microorganisms Theil, E. C. Annual Review of Biochemistry, Vol. 56, Issue 1 https://doi.org/10.1146/annurev.bi.56.070187.001445	journal	June 1987
Ferritins: iron/oxygen biominerals in protein nanocages Theil, Elizabeth C.; Matzapetakis, Manolis; Liu, Xiaofeng JBIC Journal of Biological Inorganic Chemistry, Vol. 11, Issue 7 https://doi.org/10.1007/s00775-006-0125-6	journal	July 2006
Unusual Fe9 and Fe18 structural types from the use of 2,6-pyridinedimethanol in FeIII cluster chemistry Taguchi, Taketo; Thompson, Michael S.; Abboud, Khalil A. Dalton Transactions, Vol. 39, Issue 38 https://doi.org/10.1039/c0dt00635a	journal	January 2010
Synthesis and magnetic properties of heptadecametallic Fe(III) clusters Gass, Ian A.; Milios, Constantinos J.; Evangelisti, Marco Polyhedron, Vol. 26, Issue 9-11 https://doi.org/10.1016/j.poly.2006.09.062	journal	June 2007
Single-molecule magnets based on iron(iii) oxo clusters Gatteschi, Dante; Sessoli, Roberta; Cornia, Andrea Chemical Communications, Issue 9 https://doi.org/10.1039/a908254i	journal	January 2000
Quantum Tunneling of the Magnetization in an Iron Cluster Nanomagnet Sangregorio, C.; Ohm, T.; Paulsen, C. Physical Review Letters, Vol. 78, Issue 24 https://doi.org/10.1103/PhysRevLett.78.4645	journal	June 1997
Single-Molecule Magnets Christou, George; Gatteschi, Dante; Hendrickson, David N. MRS Bulletin, Vol. 25, Issue 11 https://doi.org/10.1557/mrs2000.226	journal	November 2000
Synthesis, Structures, and Magnetic Properties of Fe2, Fe17, and Fe19 Oxo-Bridged Iron Clusters: The Stabilization of High Ground State Spins by Cluster Aggregates Powell, A. K.; Heath, S. L.; Gatteschi, D. Journal of the American Chemical Society, Vol. 117, Issue 9 https://doi.org/10.1021/ja00114a012	journal	March 1995
Large Spin Differences in Structurally Related Fe ₆ Molecular Clusters and Their Magnetostructural Explanation Cañada-Vilalta, Cristina; O'Brien, Ted A.; Brechin, Euan K. Inorganic Chemistry, Vol. 43, Issue 18 https://doi.org/10.1021/ic049413h	journal	September 2004
The Drosophila of single-molecule magnetism: [Mn12O12(O2CR)16(H2O)4] Bagai, Rashmi; Christou, George Chemical Society Reviews, Vol. 38, Issue 4 https://doi.org/10.1039/b811963e	journal	January 2009
Exploring the No-Man’s Land between Molecular Nanomagnets and Magnetic Nanoparticles Gatteschi, Dante; Fittipaldi, Maria; Sangregorio, Claudio Angewandte Chemie International Edition, Vol. 51, Issue 20 https://doi.org/10.1002/anie.201105428	journal	April 2012
Reversible Size Modification of Iron and Gallium Molecular Wheels: A Ga10 “Gallic Wheel” and Large Ga18 and Fe18 Wheels King, Philippa; Stamatatos, Theocharis C.; Abboud, Khalil A. Angewandte Chemie International Edition, Vol. 45, Issue 44 https://doi.org/10.1002/anie.200602743	journal	November 2006
Tuning the Condensation Degree of {Fe ^III _n } Oxo Clusters via Ligand Metathesis, Temperature, and Solvents Botezat, Olga; van Leusen, Jan; Kögerler, Paul Inorganic Chemistry, Vol. 57, Issue 13 https://doi.org/10.1021/acs.inorgchem.8b00994	journal	June 2018
High-Nuclearity Manganese and Iron Complexes with the Anionic Ligand Methyl Salicylimidate Godbole, Meenal D.; Roubeau, Olivier; Mills, Allison M. Inorganic Chemistry, Vol. 45, Issue 17 https://doi.org/10.1021/ic0605322	journal	August 2006
Synthesis and characterisation of Fe6 and Fe12 clusters using bicine Graham, Kristoffer; Darwish, Amiera; Ferguson, Alan Polyhedron, Vol. 28, Issue 9-10 https://doi.org/10.1016/j.poly.2009.01.018	journal	June 2009
Preparation and properties of new Fe6 and Fe8 clusters of iron(iii) with tripodal ligands Murugesu, Muralee; Abboud, Khalil A.; Christou, George Dalton Transactions, Issue 23 https://doi.org/10.1039/b310030h	journal	January 2003
An Octanuclear Complex Containing the {Fe ₃ O} ⁷⁺ Metal Core: Structural, Magnetic, Mössbauer, and Electron Paramagnetic Resonance Studies ^# Boudalis, Athanassios K.; Sanakis, Yiannis; Dahan, Françoise Inorganic Chemistry, Vol. 45, Issue 1 https://doi.org/10.1021/ic051652x	journal	January 2006
New tetranuclear metal carboxylate clusters with the [M4(μ3-O)2]8+ (M = MnIII or FeIII) cores: crystal structures and properties of [Mn4O2Cl2(O2CC6H3F2-3,5)6(py)4], [Fe4O2Cl2(O2CMe)6(bpy)2] and [NBun4][Fe4O2(O2CMe)7(pic)2] † Wemple, Michael W.; Coggin, DeAnna K.; Vincent, John B. Journal of the Chemical Society, Dalton Transactions, Issue 4 https://doi.org/10.1039/a706668f	journal	January 1998
Aggregation of dinuclear {Fe2hpdta} units to form polynuclear oxy/hydroxy-bridged Fe(iii) coordination complexes Schmitt, Wolfgang; Zhang, Lei; Anson, Christopher E. Dalton Transactions, Vol. 39, Issue 42 https://doi.org/10.1039/c0dt00655f	journal	January 2010
Step-by-step synthesis of one Fe ₆ wheel and two Fe ₁₀ clusters derived from a multidentate triethanolamine ligand Liu, Sui-Jun; Han, Song-De; Jia, Ji-Min CrystEngComm, Vol. 16, Issue 24 https://doi.org/10.1039/C3CE42381F	journal	January 2014
Iron( iii ) carboxylate/aminoalcohol coordination clusters with propeller-shaped Fe ₈ cores: approaching reasonable exchange energies Botezat, Olga; van Leusen, Jan; Ch. Kravtsov, Victor Dalton Transactions, Vol. 44, Issue 47 https://doi.org/10.1039/C5DT03024B	journal	January 2015
A 64-Nuclear Cubic Cage Incorporating Propeller-like Fe ^III ₈ Apices and HCOO ⁻ Edges Liu, Tao; Zhang, Yan-Juan; Wang, Zhe-Ming Journal of the American Chemical Society, Vol. 130, Issue 32 https://doi.org/10.1021/ja803846z	journal	August 2008
Heptanuclear iron( iii ) triethanolamine clusters exhibiting ‘millennium dome’-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa J. Mater. Chem., Vol. 16, Issue 26 https://doi.org/10.1039/B602858F	journal	January 2006
Odd-Numbered Fe ^III Complexes: Synthesis, Molecular Structure, Reactivity, and Magnetic Properties Ako, Ayuk M.; Waldmann, Oliver; Mereacre, Valeriu Inorganic Chemistry, Vol. 46, Issue 3 https://doi.org/10.1021/ic061650s	journal	February 2007
Synthesis, characterisation and electrochemical reductions of oxo-centred, carboxylate-bridged triiron complexes, [Fe3(µ3-O)(µ-O2CR)6L3]X (R = Me, But, Ph, CH2Cl, CCl3, CH2CN or 4-NO2C6H4; L = py, 3-H2Npy, 4-H2Npy, 3-NCpy, 4-NCpy or 4-CH2CHpy; X = ClO4– or NO3–) M. Bond, Alan; J. H. Clark, Robin; G. Humphrey, David Journal of the Chemical Society, Dalton Transactions, Issue 11 https://doi.org/10.1039/a708880i	journal	January 1998
Diamagnetic Corrections and Pascal's Constants Bain, Gordon A.; Berry, John F. Journal of Chemical Education, Vol. 85, Issue 4 https://doi.org/10.1021/ed085p532	journal	April 2008
Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes Bencini, Alessandro; Totti, Federico; Daul, Claude A. Inorganic Chemistry, Vol. 36, Issue 22 https://doi.org/10.1021/ic961448x	journal	October 1997
About the calculation of exchange coupling constants in polynuclear transition metal complexes: Calculation of Exchange Coupling Constants Ruiz, Eliseo; Rodríguez-Fortea, Antonio; Cano, Joan Journal of Computational Chemistry, Vol. 24, Issue 8 https://doi.org/10.1002/jcc.10257	journal	April 2003
Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules Valero, Rosendo; Costa, Ramon; de P. R. Moreira, Ibério The Journal of Chemical Physics, Vol. 128, Issue 11 https://doi.org/10.1063/1.2838987	journal	March 2008
Calculation of Exchange Coupling Constants of Transition Metal Complexes with DFT Comba, Peter; Hausberg, Sascha; Martin, Bodo The Journal of Physical Chemistry A, Vol. 113, Issue 24 https://doi.org/10.1021/jp900752p	journal	June 2009
Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization Phillips, Jordan J.; Peralta, Juan E. Journal of Chemical Theory and Computation, Vol. 8, Issue 9 https://doi.org/10.1021/ct3004904	journal	August 2012
Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Krishnan, R.; Binkley, J. S.; Seeger, R. The Journal of Chemical Physics, Vol. 72, Issue 1 https://doi.org/10.1063/1.438955	journal	January 1980
Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca Blaudeau, Jean-Philippe; McGrath, Mark P.; Curtiss, Larry A. The Journal of Chemical Physics, Vol. 107, Issue 13 https://doi.org/10.1063/1.474865	journal	October 1997
Broken Symmetry Approach to Density Functional Calculation of Magnetic Anisotropy or Zero Field Splittings for Multinuclear Complexes with Antiferromagnetic Coupling ^† van Wüllen, Christoph The Journal of Physical Chemistry A, Vol. 113, Issue 43 https://doi.org/10.1021/jp902823m	journal	October 2009
Magnetic anisotropy barrier for spin tunneling in Mn 12 O 12 molecules Pederson, M. R.; Khanna, S. N. Physical Review B, Vol. 60, Issue 13 https://doi.org/10.1103/PhysRevB.60.9566	journal	October 1999
Density functional studies of molecular magnets Postnikov, Andrei V.; Kortus, Jens; Pederson, Mark R. physica status solidi (b), Vol. 243, Issue 11 https://doi.org/10.1002/pssb.200541490	journal	September 2006
Diversity of New Structural Types in Polynuclear Iron Chemistry with a Tridentate N,N,O Ligand Bagai, Rashmi; Datta, Saiti; Betancur-Rodriguez, Amalia Inorganic Chemistry, Vol. 46, Issue 11 https://doi.org/10.1021/ic070106w	journal	May 2007
Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database Brown, I. D.; Altermatt, D. Acta Crystallographica Section B Structural Science, Vol. 41, Issue 4 https://doi.org/10.1107/S0108768185002063	journal	August 1985
A New N,N,O Chelate for Transition Metal Chemistry: Fe ₅ and Fe ₆ Clusters from the Use of 6-Hydroxymethyl-2,2‘-bipyridine (hmbpH) Bagai, Rashmi; Abboud, Khalil A.; Christou, George Inorganic Chemistry, Vol. 46, Issue 14 https://doi.org/10.1021/ic070174i	journal	July 2007
Synthesis, molecular structure and magnetic properties of [Fe6(μ3-O)2(OPri)2(μ-OPri)6(O2CPh)2(μ-O2CPh)4] Ammala, Paul S.; Batten, Stuart R.; Cashion, John D. Inorganica Chimica Acta, Vol. 331, Issue 1 https://doi.org/10.1016/S0020-1693(01)00761-7	journal	March 2002
Hexanuclear complexes from the use of a series of amino-alcohol ligands in Fe chemistry Papatriantafyllopoulou, Constantina; Kizas, Christos M.; Manos, Manolis J. Polyhedron, Vol. 64 https://doi.org/10.1016/j.poly.2013.04.035	journal	November 2013
A centred, elongated ‘ferric tetrahedron’ with an S = 15/2 spin ground state Tabernor, James; Jones, Leigh F.; Heath, Sarah L. Dalton Trans., Issue 7 https://doi.org/10.1039/B403041A	journal	January 2004
A Pyrazole-Expanded EDTA Ligand and its Pentanuclear Iron(III) Complex Fischer, Stefan; Demeshko, Serhiy; Dechert, Sebastian Zeitschrift für anorganische und allgemeine Chemie, Vol. 638, Issue 3-4 https://doi.org/10.1002/zaac.201100534	journal	February 2012
Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcoholligands in Fe chemistry Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios Dalton Trans., Vol. 41, Issue 5 https://doi.org/10.1039/C1DT11487E	journal	January 2012
Unusual Structural Types in Polynuclear Iron Chemistry from the Use of N , N , N ′, N ′-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH ₄ ): Fe ₅ , Fe ₆ , and Fe ₁₂ Clusters Bagai, Rashmi; Daniels, Matthew R.; Abboud, Khalil A. Inorganic Chemistry, Vol. 47, Issue 8 https://doi.org/10.1021/ic7024022	journal	April 2008
Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe ₅ , Fe ₆ , and Fe ₈ Clusters Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George Inorganic Chemistry, Vol. 55, Issue 13 https://doi.org/10.1021/acs.inorgchem.6b00769	journal	June 2016
Binuclear iron system ferromagnetic in three oxidation states: synthesis, structures, and electronic aspects of molecules with a Fe2(OR)2 bridge unit containing Fe(III,III), Fe(III,II), and Fe(II,II) Snyder, Barry S.; Patterson, George S.; Abrahamson, Andrew J. Journal of the American Chemical Society, Vol. 111, Issue 14 https://doi.org/10.1021/ja00196a031	journal	July 1989
Ferromagnetic Coupling in the Bis(μ-end-on-azido)iron(III) Dinuclear Complex Anion of[FeII(bpym)3]2[Fe2III(N3)10]·2H2O De Munno, Giovanni; Poerio, Teresa; Viau, Guillaume Angewandte Chemie International Edition in English, Vol. 36, Issue 1314 https://doi.org/10.1002/anie.199714591	journal	August 1997
Synthesis, Structure, and Magnetic Properties of Mn(salpn)N _3, a Helical Polymer, and Fe(salpn)N ₃ , a Ferromagnetically Coupled Dimer (salpnH ₂ = N , N ‘-bis(Salicylidene)-1,3-diaminopropane) Reddy, K. Rajender; Rajasekharan, M. V.; Tuchagues, J. -P. Inorganic Chemistry, Vol. 37, Issue 23 https://doi.org/10.1021/ic971592y	journal	November 1998
Synthesis, Crystal Structure, and Magnetic Properties of a Very Rare Double μ-1,1-Azido- and a μ-1,1-(OMe)-Bridged FeIII Dimer Containing a N,N,O-Donor Tridentate Schiff Base Ligand Naiya, Subrata; Drew, Michael G. B.; Diaz, Carmen European Journal of Inorganic Chemistry, Vol. 2011, Issue 32 https://doi.org/10.1002/ejic.201100552	journal	October 2011
PHI: A powerful new program for the analysis of anisotropic monomeric and exchange-coupled polynuclear d - and f -block complexes Chilton, Nicholas F.; Anderson, Russell P.; Turner, Lincoln D. Journal of Computational Chemistry, Vol. 34, Issue 13 https://doi.org/10.1002/jcc.23234	journal	February 2013

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