skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Tuning of Cr?Cr Magnetic Exchange through Chalcogenide Linkers in Cr[subscript 2] Molecular Dimers

Journal Article · · Inorg. Chem.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; National Science Foundation (NSF)
OSTI ID:
1871719
Journal Information:
Inorg. Chem., Vol. 61, Issue (16)
Country of Publication:
United States
Language:
ENGLISH

References (74)

Anomalous paramagnetism of copper acetate
  • Bleaney, Brebis; Powers, K. D.
  • Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 214, Issue 1119, p. 451-465 https://doi.org/10.1098/rspa.1952.0181
journal October 1952
The Zero-Field-Splitting Parameter D in Binuclear Copper(II) Carboxylates Is Negative journal October 2008
Theoretical Determination of the Zero-Field Splitting in Copper Acetate Monohydrate journal July 2011
Dinuclear Metallacycles with Single M–X–M Bridges (X = Cl , Br ; M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions journal February 2017
Polynuclear transition metal complexes of metal⋯metal-bridging compartmental pyrazolate ligands journal November 2009
Synthesis and reactivity of saturated hydrocarbon-bridged dinuclear complexes journal April 1986
Bridged hydrocarbyl or hydrocarbon binuclear transition metal complexes: classification, structures, and chemistry journal April 1983
Model Dimeric Manganese(IV) Complexes Featuring Terminal Tris-hydroxotetraazaadamantane and Various Bridging Ligands journal July 2020
Oxidation State Dependence of the Geometry, Electronic Structure, and Magnetic Coupling in Mixed Oxo- and Carboxylato-Bridged Manganese Dimers journal May 2001
Tetrahedral and other M2L6 transition metal dimers journal October 1976
Magneto-Structural Correlations in Linear and Bent Oxo-Bridged Transition-Metal Dimers:  Comparisons, Interpretations, and Predictions of Ground-State Magnetic Properties journal April 1998
Electrochemistry of oxo-bridged ruthenium dimers with 4,4′-dichloro- and 5,5′-dichloro-2,2′-bipyridine and their catalytic properties towards water oxidation journal January 1995
Mediator-assisted water oxidation by the ruthenium "blue dimer" cis,cis-[(bpy)2(H2O)RuORu(OH2)(bpy)2]4+ journal November 2008
Monomeric and dimeric coordinatively saturated and substitutionally inert Ru( ii ) polypyridyl complexes as anticancer drug candidates journal January 2017
Toward organometallic antischistosomal drug candidates journal April 2015
Redox-Induced Structural Switching through Sporadic Pyridine-Bridged Co II Co II Dimer and Electrocatalytic Proton Reduction journal May 2020
Field-Assisted Slow Magnetic Relaxation in a Six-Coordinate Co(II)–Co(III) Complex with Large Negative Anisotropy journal May 2017
Slow Magnetic Relaxation in Co(III)–Co(II) Mixed-Valence Dinuclear Complexes with a Co II O 5 X (X = Cl, Br, NO 3 ) Distorted-Octahedral Coordination Sphere journal March 2013
A High-Valent Non-Heme μ-Oxo Manganese(IV) Dimer Generated from a Thiolate-Bound Manganese(II) Complex and Dioxygen journal June 2017
Dinuclear manganese( iii ) complexes with bioinspired coordination and variable linkers showing weak exchange effects: a synthetic, structural, spectroscopic and computation study journal January 2019
Elucidating Magnetic Exchange and Anisotropy in Weakly Coupled Mn III Dimers journal December 2012
Copper(II) Carboxylate Dimers Prepared from Ligands Designed to Form a Robust π···π Stacking Synthon: Supramolecular Structures and Molecular Properties journal December 2011
Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions journal July 2012
Asymmetric Azido−Copper(II) Bridges:  Ferro- or Antiferromagnetic? Experimental and Theoretical Magneto−Structural Studies journal June 2005
Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes: Antiferromagnetic Superexchange Interactions journal January 2015
Copper(II) Complexes with Bulky N-Substituted Diethanolamines: High-Field Electron Paramagnetic Resonance, Magnetic, and Catalytic Studies in Oxidative Cyclohexane Amidation journal September 2018
Hinge Distortion in Platinum(II) Dimers with a Pt 2 S 2 Ring. An ab Initio Molecular Orbital Study journal January 1996
Excited-State Contributions to Ground-State Properties of Mixed-Valence Dimers:  Spectral and Electronic-Structural Studies of [Fe 2 (OH) 3 (tmtacn) 2 ] 2+ Related to the [Fe 2 S 2 ] + Active Sites of Plant-Type Ferredoxins journal January 1996
Spectroscopic Evidence for a Reduced Fe2S2 Cluster with a S = 9/2 Ground State in Mutant Forms of Clostridium pasteurianum 2Fe Ferredoxin journal September 1995
[Fe 2 S 2 (OAr) 4 ] 2– : iron–sulphur dimers with terminal phenolate ligands journal January 1985
High-frequency tunable EPR spectroscopy of Cr3+ in synthetic forsterite journal December 2001
High-frequency two-dimensional EPR spectroscopy of Cr<formula><sup><roman>3+</roman></sup></formula> and Ho<formula><sup><roman>3+</roman></sup></formula> dimers in synthetic forsterite conference February 2012
Electron paramagnetic resonance and ENDOR studies of Cr3+ - Al3+ pairs in forsterite journal March 1983
Magneto-structural correlations in a family of di-alkoxo bridged chromium dimers journal January 2017
Exchange coupling in di-μ-hydroxo-bridged chromium(III) dimers journal December 1981
EPR spectroscopic study of S = 1, 2, and 3 spin states of tris(.mu.-hydroxo)-bridged chromium(III) dimers journal March 1985
A New Hydroxo-bridged Chromium(III) Dimer [Cr(saltn)OH]2·4H2O: Synthesis, Crystal Structure and Magnetic Properties journal June 2005
Synthesis and characterization of the chromium(III) dimer bis(.mu.-hydroxo)bis[[N,N'-bis(2-pyridylmethyl)-1,2-ethanediamine]chromium(III)] perchlorate, [(bispicen)Cr(OH)]2(ClO4)4.H2O journal September 1984
Magnetic and structural characterization of the chromium(III) dimer sodium diμ-hydroxobis[bis(oxalato)chromate(III)] hexahydrate, Na4[Cr(C2O4)2OH]2·6H2O journal January 1977
Probing Effective Hamiltonian Operators by Single-Crystal EPR: A Case Study Using Dinuclear Cr(III) Complexes journal January 2016
DFT-BS examination of exchange coupling in chromium(III) dimers containing the μ1,2-squarato bridge journal April 2012
Effective Hamiltonian Crystal Field As Applied to Magnetic Exchange Parameters in μ-Oxo-Bridged Cr(III) Dimers journal August 2013
Magnetic interactions in oxide-bridged dichromium(III) complexes. Computational determination of the importance of non-bridging ligands journal February 2013
Correlation structure—magnetic properties in (Cr2O10)14− dimeric units: A theoretical approach journal August 1982
Cr III −Cr III Interactions in Two Alkoxo-Bridged Heterometallic Zn 2 Cr 2 Complexes Self-Assembled from Zinc Oxide, Reinecke’s Salt, and Diethanolamine journal May 2010
Accessing the Cp Ar Ni(I) Synthon: Reactions with N-Heterocyclic Carbenes, TEMPO, Sulfur, and Selenium journal May 2016
Organometallic dithiolene complexes of the group 8–10 metals: Reactivities, structures and electrochemical behavior journal January 2011
From a Molecular 2Fe-2Se Precursor to a Highly Efficient Iron Diselenide Electrocatalyst for Overall Water Splitting journal July 2017
Stable -ESiMe 3 Complexes of Cu I and Ag I (E=S, Se) with NHCs: Synthons in Ternary Nanocluster Assembly journal February 2016
The crystal and molecular structure of bis{μ[(tri-fluoromethyl)selono]manganese tetracarbonyl} journal July 1972
Synthesis, spectroscopic characterization and reactivities of linear and butterfly chromium/selenium complexes containing substituted cyclopentadienyl ligands: crystal structures of [{η5-MeC5H4Cr(CO)2}2Se] and [{η5-EtO2CC5H4Cr(CO)2}2Se2] journal May 2004
Chemistry of [CpCr(CO)3]2. An insertion mechanism for the formation of Cp2Cr2(CO)5Se2 and Cp2Cr2(CO)4Se2 from Cp2Cr2(CO)4Se. Carbonylation and crystal structure of Cp2Cr2(CO)4Se2 journal September 1988
Mono- and di-selenium complexes of chromium. Syntheses and crystal structures of (η 5 -C 5 H 5 ) 2 Cr 2 (CO) 4 Se and (η 5 -C 5 H 5 ) 2 Cr 2 (CO) 4 Se 2 journal January 1985
Solvothermal and ionothermal syntheses and structures of amine- and/or (poly-)chalcogenide coordinated metal complexes journal June 2014
Tuning Fe–Se Tetrahedral Frameworks by a Combination of [Fe(en) 3 ] 2+ Cations and Cl Anions journal September 2020
GSAS-II : the genesis of a modern open-source all purpose crystallography software package journal March 2013
Crystal structure refinement with SHELXL journal January 2015
Ultrawide Band Multifrequency High-Field EMR Technique: A Methodology for Increasing Spectroscopic Information journal February 2000
Magnetic Properties of the Chromium(III) Dimer Delta(--)546-Di-mu-hydroxo(S,S,S,S)-tetrakis(L-prolinato)dichromium(III) Tetrahydrate. journal January 1982
High Field Magnetization of Cr-Dimer Complexes journal December 1992
Structural determinations, magnetic and EPR studies of complexes involving the Cr(OH)2Cr unit journal May 2008
Structural and magnetic characterization of di-.mu.-hydroxo-bis[bis(1,10-phenanthroline(chromium(III)] iodide tetrahydrate journal May 1975
Structural and magnetic characterization of the alkoxo-bridged chromium(III) dimer bis(.mu.-methoxo)bis[bis(2,4-pentanedionato)chromium(III)], [(acac)2Cr(OCH3)]2 journal August 1982
Exchange Interactions within Nearest-Neighbor Cr 3 + Pairs in Chromium-Doped Spinel Zn Ga 2 O 4 journal June 1971
Biquadratic exchange interactions in two-dimensional magnets journal October 2020
Exchange Coupling in Halo-Bridged Dinuclear Cu(II) Compounds:  A Density Functional Study journal June 2002
Analysis of the Singlet–Triplet Splitting Computed by the Density Functional Theory–Broken-Symmetry Method: Is It an Exchange Coupling Constant? journal May 2011
Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians journal September 2013
Ligand spin polarization and antiferromagnetic coupling in transition metal dimers journal November 1986
Valence bond description of antiferromagnetic coupling in transition metal dimers journal May 1981
The ORCA program system: The ORCA program system journal June 2011
A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach journal May 1980
Introduction of n -electron valence states for multireference perturbation theory journal June 2001
Calculation of the zero-field splitting tensor on the basis of hybrid density functional and Hartree-Fock theory journal October 2007