Effects of substitution, solvent andpH on magnetic exchange interactions in SOD model systems: ESR, electrochemical and single crystal x-ray studies

P S Subramanian; D Srinivas; Mohan M Bhadbhade; M Velayuthum; S Subramanian

doi:10.1007/bf02870074

Isotropic and Anisotropic Magnetic Exchange Interactions through .mu.-N1,N2 1,2,4-Triazole and .mu.-Sulfato Bridges: X-ray Crystal Structure, Magnetic Properties, and Single-Crystal EPR Study of (.mu.-4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N',N1,N2,N'')(.mu.-sulfato-O,O')[(sulfato-O)aquacopper(II)]triaquacopper(II) Hydrate

Inorganic Chemistry ◽

10.1021/ic00125a015 ◽

1995 ◽

Vol 34 (21) ◽

pp. 5175-5182 ◽

Cited By ~ 61

Author(s):

Petra J. van Koningsbruggen ◽

Dante Gatteschi ◽

Rudolf A. G. de Graaff ◽

Jaap G. Haasnoot ◽

Jan Reedijk ◽

...

Keyword(s):

Crystal Structure ◽

Magnetic Properties ◽

Single Crystal ◽

Exchange Interactions ◽

Magnetic Exchange ◽

X Ray

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Single-Crystal EPR and X-Ray Studies of Magnetic Exchange Interactions and the Molecular Structure of Dipropylenetriamineethylenediaminecopper(II) Perchlorate, [Cu(dpt)(en)](ClO4)2

Inorganic Chemistry ◽

10.1021/ic980071n ◽

1998 ◽

Vol 37 (23) ◽

pp. 5983-5991 ◽

Cited By ~ 14

Author(s):

Murugesan Velayutham ◽

Babu Varghese ◽

Sankaran Subramanian

Keyword(s):

Molecular Structure ◽

Single Crystal ◽

Exchange Interactions ◽

Magnetic Exchange ◽

X Ray

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Structural analysis of Gd6FeBi2 from single-crystal X-ray diffraction methods and electronic structure calculations

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229619004868 ◽

2019 ◽

Vol 75 (5) ◽

pp. 562-567 ◽

Cited By ~ 4

Author(s):

Jiliang Zhang ◽

Yong-Mook Kang ◽

Guangcun Shan ◽

Svilen Bobev

Keyword(s):

Electronic Structure ◽

Single Crystal ◽

First Principles ◽

Earth Metal ◽

Magnetic Ordering ◽

Additional Contribution ◽

First Principles Calculations ◽

X Ray Diffraction ◽

Magnetic Exchange ◽

X Ray

The crystal structure of the gadolinium iron bismuthide Gd6FeBi2 has been characterized by single-crystal X-ray diffraction data and analyzed in detail using first-principles calculations. The structure is isotypic with the Zr6CoAl2 structure, which is a variant of the ZrNiAl structure and its binary prototype Fe2P (Pearson code hP9, Wyckoff sequence g f d a). As such, the structure is best viewed as an array of tricapped trigonal prisms of Gd atoms centered alternately by Fe and Bi. The magnetic-ordering temperature of this compound (ca 350 K) is much higher than that of other rare-earth metal-rich phases with the same or related structures. It is also higher than the ordering temperature of many other Gd-rich ternary phases, where the magnetic exchange is typically governed by Ruderman–Kittel–Kasuya–Yosida (RKKY) interactions. First-principles calculations reveal a larger than expected Gd magnetic moment, with the additional contribution arising from the Gd 5d electrons. The electronic structure analysis suggests strong Gd 5d–Fe 3d hybridization to be the cause of this effect, rather than weak interactions between Gd and Bi. These details are of importance for understanding the magnetic response and explaining the high ordering temperature in this material.

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EPR Evidence For Magnetic Exchange Through a Four-Carbon Aliphatic Bridge in a Binuclear Copper(II) Complex. Single Crystal X-Ray Structure of 7, 7′-(1, 4-Butanediyl)-Bis{2,12-Dimethyl-3,7,11,17-Tetraazabicyclo[11.3.1]Heptadeca-1(17),2,11,13,15-Pentaene)Nickel(II)} Perchlorate Monohydrate

Journal of Coordination Chemistry ◽

10.1080/00958972.1988.9728150 ◽

1988 ◽

Vol 19 (1-3) ◽

pp. 123-137 ◽

Cited By ~ 29

Author(s):

Keith A. Foster ◽

David R. Brown ◽

Mark D. Timken ◽

Donald G. Van Derveer ◽

R. Linn Belford ◽

...

Keyword(s):

Single Crystal ◽

Binuclear Copper ◽

Magnetic Exchange ◽

X Ray ◽

Aliphatic Bridge

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Exploiting Host-Guest Chemistry to Manipulate Magnetic Interactions in Metallosupramolecular M4L6 Tetrahedral Cages

10.26434/chemrxiv.13720849.v1 ◽

2021 ◽

Author(s):

Aaron Scott ◽

Julia Vallejo ◽

Arup Sarkar ◽

Lucy Smythe ◽

Emma Regincós Martí ◽

...

Keyword(s):

Single Crystal ◽

Self Assembly ◽

Close Agreement ◽

Exchange Interactions ◽

Magnetic Interactions ◽

Magnetic Exchange ◽

Guest Molecules ◽

Space Groups ◽

Comparable Magnitude ◽

Spin Densities

Reaction of Ni(OTf)2 with the bisbidentate quaterpyridine ligand L results in the self-assembly of a tetrahedral, paramagnetic cage [NiII4L6]8+. By selectively exchanging the bound triflate from [OTfÌNiII4L6](OTf)7 (1), we have been able to prepare a series of host-guest complexes that feature an encapsulated paramagnetic tetrahalometallate ion inside this paramagnetic host giving [MIIX4ÌNiII4L6](OTf)6, where MIIX42− = MnCl42− (2), CoCl42− (5), CoBr42− (6), NiCl42− (7), CuBr42− (8) or [MIIIX4ÌNiII4L6](OTf)7, where MIIIX4− = FeCl4− (3), FeBr4− (4). Triflate-to-tetrahalometallate exchange occurs in solution and can also be accomplished through single-crystal-to-single-crystal transformations. Host-guest complexes 1-8 all crystallise as homochiral racemates in monoclinic space groups, wherein the four {NiN6} vertex within a single Ni4L6 unit possess the same Δ or Λ stereochemistry. Magnetic susceptibility and magnetisation data show that the magnetic exchange between metal ions in the host [NiII4] complex, and between the host and the MX4n- guest, are of comparable magnitude and antiferromagnetic in nature. Theoretically derived values for the magnetic exchange are in close agreement with experiment, revealing that large spin densities on the electronegative X-atoms of particular {MX4}n− guest molecules leads to stronger host-guest magnetic exchange interactions.

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Magnetic exchange interactions in transition metal dimers. VII. X-ray structural characterization of three outer-sphere copper(II) dimers [Cu2(tren)2X2](BPh4)2 where X- = chloride(1-), isocyanate(1-), and isothiocyanate(1-). Outer-sphere electron exchange interactions

Inorganic Chemistry ◽

10.1021/ic50152a032 ◽

1975 ◽

Vol 14 (10) ◽

pp. 2449-2459 ◽

Cited By ~ 48

Author(s):

Edward J. Laskowski ◽

D. Michael. Duggan ◽

David N. Hendrickson

Keyword(s):

Transition Metal ◽

Structural Characterization ◽

Exchange Interactions ◽

Outer Sphere ◽

Electron Exchange ◽

Magnetic Exchange ◽

X Ray

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Single-crystal studies of the zero-field splitting and magnetic exchange interactions in the magnetic susceptibility calibrant mercury cobalt-thiocyanate (HgCo(NCS)4)

Inorganic Chemistry ◽

10.1021/ic00054a012 ◽

1993 ◽

Vol 32 (2) ◽

pp. 182-188 ◽

Cited By ~ 56

Author(s):

David Nelson ◽

Leonard W. Ter Haar

Keyword(s):

Magnetic Susceptibility ◽

Single Crystal ◽

Exchange Interactions ◽

Zero Field ◽

Zero Field Splitting ◽

Magnetic Exchange ◽

Field Splitting

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Exploiting Host-Guest Chemistry to Manipulate Magnetic Interactions in Metallosupramolecular M4L6 Tetrahedral Cages

10.26434/chemrxiv.13720849 ◽

2021 ◽

Author(s):

Aaron Scott ◽

Julia Vallejo ◽

Arup Sarkar ◽

Lucy Smythe ◽

Emma Regincós Martí ◽

...

Keyword(s):

Single Crystal ◽

Self Assembly ◽

Close Agreement ◽

Exchange Interactions ◽

Magnetic Interactions ◽

Magnetic Exchange ◽

Guest Molecules ◽

Space Groups ◽

Comparable Magnitude ◽

Spin Densities

Reaction of Ni(OTf)2 with the bisbidentate quaterpyridine ligand L results in the self-assembly of a tetrahedral, paramagnetic cage [NiII4L6]8+. By selectively exchanging the bound triflate from [OTfÌNiII4L6](OTf)7 (1), we have been able to prepare a series of host-guest complexes that feature an encapsulated paramagnetic tetrahalometallate ion inside this paramagnetic host giving [MIIX4ÌNiII4L6](OTf)6, where MIIX42− = MnCl42− (2), CoCl42− (5), CoBr42− (6), NiCl42− (7), CuBr42− (8) or [MIIIX4ÌNiII4L6](OTf)7, where MIIIX4− = FeCl4− (3), FeBr4− (4). Triflate-to-tetrahalometallate exchange occurs in solution and can also be accomplished through single-crystal-to-single-crystal transformations. Host-guest complexes 1-8 all crystallise as homochiral racemates in monoclinic space groups, wherein the four {NiN6} vertex within a single Ni4L6 unit possess the same Δ or Λ stereochemistry. Magnetic susceptibility and magnetisation data show that the magnetic exchange between metal ions in the host [NiII4] complex, and between the host and the MX4n- guest, are of comparable magnitude and antiferromagnetic in nature. Theoretically derived values for the magnetic exchange are in close agreement with experiment, revealing that large spin densities on the electronegative X-atoms of particular {MX4}n− guest molecules leads to stronger host-guest magnetic exchange interactions.

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Structural and magnetic properties of copper(II) dimers bridged by oxalate, azide, and cyanide ions; X-ray structures of [Cu2{EtN(CH2CH2NEt2)2}2(C2O4)][BPh4]2 and [Cu2{MeN(CH2CH2NMe2)2}2(N3)2][BPh4]2. The role of the transition-metal ion ground state in magnetic exchange interactions

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39760000777 ◽

1976 ◽

pp. 777 ◽

Cited By ~ 9

Author(s):

Timothy R. Felthouse ◽

Edward J. Laskowski ◽

David S. Bieksza ◽

David N. Hendrickson

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Ground State ◽

Metal Ion ◽

Exchange Interactions ◽

Magnetic Exchange ◽

Transition Metal Ion ◽

X Ray ◽

Structural And Magnetic Properties

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A Dynamically Nanoporous Metal-Organic Framework Functional Properties

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.239-242.3150 ◽

2011 ◽

Vol 239-242 ◽

pp. 3150-3155 ◽

Cited By ~ 1

Author(s):

Xing Huang ◽

Li Jun Jiang ◽

Mao Lin Hu ◽

Xin Hua Li

Keyword(s):

Metal Organic Framework ◽

Exchange Interactions ◽

Gas Storage ◽

Magnetic Exchange ◽

X Ray ◽

Crystal Transformation ◽

Nanoporous Metal ◽

Metal Organic ◽

Coordination Framework ◽

Single Crystal Analysis

3D nanoporous coordination framework [Ni2(nic)4(H2O)]n(nic=Nicotinic acid) was obtained hydrothermally from a mixture of NiCl2.6H2O and 3-cyanopyridine. X-ray single crystal analysis revealed that it consists of “mushroom-shaped” channels along a axis suitable for gas storage. N2-adsorption studies at 77 K revealed a Langmuir surface area of 200 m2/g and a pore volume of 0.12 cm3/g. The compound shows dynamic dehydration and rehydration behaviors with the formation of 0D coordination [Ni(nic)2(H2O)4], accompanied by crystal-to-crystal transformation. The structural transformation significantly changes the character of magnetic exchange interactions and gas storage.

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