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

1988 ◽  
Vol 19 (1-3) ◽  
pp. 123-137 ◽  
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

scholarly journals Single-crystal ESR and X-Ray Crystallographical Studies of a Binuclear Copper(II) Complex with a Coaxially Stacked Square-pyramidal Geometry

1984 ◽  
Vol 57 (6) ◽  
pp. 1454-1458 ◽  
Author(s):  
Yuji Kajikawa ◽  
Tosio Sakurai ◽  
Nagao Azuma ◽  
Shizue Kohno ◽  
Sei Tsuboyama ◽  
...  
Keyword(s):  
Single Crystal ◽  
Binuclear Copper ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

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

2019 ◽  
Vol 75 (5) ◽  
pp. 562-567 ◽  
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.

Structure and magnetism in a hydroxy bridged binuclear copper(II) system with a "tunable" binuclear centre

1983 ◽  
Vol 61 (3) ◽  
pp. 579-583 ◽  
Author(s):  
Laurence K. Thompson
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Coordination Geometry ◽  
Antiferromagnetic Exchange ◽  
X Ray Diffraction ◽  
Binuclear Copper ◽  
Space Group ◽  
X Ray ◽  
Oxygen Bridge ◽  
Copper Coordination

The molecular structure of [Cu2(PAP)(OH)(IO3)3]•4H2O (PAP = 1,4-di(2′-pyridyl)aminophthalazine) has been determined by single crystal X-ray diffraction. [Cu2(PAP)(OH)(IO3)3]•4H2O belongs to the space group P21/c with a = 7.266(1), b = 15.269(1), c = 25.870(1) Å, β = 96.40(I)°, V = 2852.2 Å3, Z = 4. The copper coordination geometry lies between a square pyramid and a trigonal bipyramid and the two copper(II) centres are bridged by three groups: N2 (phthalazine), hydroxide, and bidentate iodate, in a structure which is analogous to that reported for [Cu2(PAP)(OH)Cl3]•1.5H2O. Replacing the chlorine bridge by iodate has the effect of forcing the two metal centres further apart, thus creating a larger Cu—O—Cu bridge angle. This increase in oxygen bridge angle (101° to 114°) is also reflected in the enhanced antiferromagnetic exchange (−2J(Cl) = 201 cm−1, −2J(IO3) = 335 cm−1). Other groups of varying size (e.g. Br, NO3, SO4) can act as bridges between the two copper centres in systems of this sort with the resultant variation in copper–copper separation and oxygen bridge angle.

Crystal Structure and Spectroscopic Behaviour of a Binuclear Copper(II) Complex of Mefenamic Acid and Dimethylsulfoxide

1998 ◽  
Vol 53 (8) ◽  
pp. 871-874 ◽  
Author(s):  
G. Facchin ◽  
M. H. Torre ◽  
E. Kremer ◽  
O. E. Piro ◽  
E. J. Baran
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Mefenamic Acid ◽  
Electronic Spectra ◽  
Anthranilic Acid ◽  
Binuclear Copper ◽  
Triclinic Space Group ◽  
Spectroscopic Behaviour ◽  
Space Group ◽  
X Ray

Abstract The crystal structure of the binuclear Cu(II) complex [Cu(mef)2DMSO]2 (mef = deprotonated N-2,3-dimethylphenyl-anthranilic acid; DMSO = dimethylsulfoxide) has been determined by single-crystal X-ray diffractometry. It crystallizes in the triclinic space group P1̄ with Z = 1. IR and electronic spectra of the compound are also discussed briefly.

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

1996 ◽  
Vol 108 (3) ◽  
pp. 307-307
Author(s):  
P S Subramanian ◽  
D Srinivas ◽  
Mohan M Bhadbhade ◽  
M Velayuthum ◽  
S Subramanian
Keyword(s):  
Single Crystal ◽  
Exchange Interactions ◽  
Model Systems ◽  
Magnetic Exchange ◽  
X Ray

Copper, Thioamide Complexes. Syntheses and Structures of Di-m-chloro-bis[N-(pyridin-2-yl)benzenecarbothioamide-S,N']dicopper(I) and of Bis[N-(pyridin-2-yl)benzenecarbothioamide-S,N']copper(I) Chloride, Complxes Containing Tetrahedrally Coordinated Copper Centres

1985 ◽  
Vol 38 (6) ◽  
pp. 865 ◽  
Author(s):  
MW Fuller ◽  
V Costanzo ◽  
KS Murray ◽  
DSC Black ◽  
TW Hambly ◽  
...  
Keyword(s):  
Single Crystal ◽  
X Ray Diffraction ◽  
Binuclear Copper ◽  
Chlorine Atoms ◽  
Space Group ◽  
X Ray ◽  
Thioamide Group ◽  
Excess Copper ◽  
Pyridine Nitrogen ◽  
Yellow Compound

The mononuclear copper(I) complex Cu(PhCSNHC5H4N)2Cl (Cu( pbctaH )2Cl) and the binuclear copper(I) complex [Cu(PhCSNHC5H4N) Cl ]2 ([Cu( pbctaH ) Cl ]2) have been prepared from copper(II) chloride and N-(pyridin-2- yl ) benzenecarbothioamide ( pbctaH ) and their structures detertnined by single-crystal X-ray diffraction studies. Cu(PhCSNHC5H4)2Cl crystallizes in the space group C2/c with the parameters a 28.042(3) Ǻ, b 6.385(a) Ǻ, c 14.158(12) Ǻ, β 117.01(1)°. The stereochemistry about the copper is essentially tetrahedral, with coordination occurring through the pyridine nitrogen and the sulfur of the thioamide group, and an NCuS angle of 95.7(1)°. [Cu(PhCSNHC5H4N)2Cl]2 crystallizes in the space group C2/c with the parameters a 16.538(6) Ǻ, b 9.135(4) Ǻ, c 16.470(6) Ǻ, β 93.925(15)°. The crystal is made up of binuclear chloro -bridged units, the essentially tetrahedral stereochemistry about the copper atoms being completed by coordination from the pyridine nitrogen and the sulfur of the thioamide group, with an NCuS angle of 99.5(1)°. The Cu2Cl2 group is non-planar, with the copper atoms 0.133 Ǻ above and the chlorine atoms 0.133 Ǻ below the average plane. Other complexes can be isolated from reactions of excess copper(II) chloride with ligand although their structures have not been characterized. A diamagnetic orange compound and a paramagnetic yellow compound apparently derived from copper(n) oxidation of the thioamide were also obtained. Other products, prepared under more basic conditions, are also described. No stable copper(II) complexes of the parent thioamide could be isolated. Use of a 4-nitro substituted benzenecarbothioamide ligand did, however, produce a bis-chelated copper(II) complex.

Copper(II) complexes of open-chain thioether ligands terminated by salicylaldimine functionality*This article has a companion paper in this issue (doi: 10.1139/v11-081).

2011 ◽  
Vol 89 (10) ◽  
pp. 1190-1201 ◽  
Author(s):  
C. Robert Lucas ◽  
John M.D. Byrne ◽  
Julie L. Collins ◽  
Louise N. Dawe ◽  
David O. Miller
Keyword(s):  
Magnetic Susceptibility ◽  
Single Crystal ◽  
Variable Temperature ◽  
Companion Paper ◽  
Structural Studies ◽  
Binuclear Copper ◽  
Open Chain ◽  
X Ray ◽  
Variable Temperature Magnetic Susceptibility ◽  
Coordination Spheres

From 1,11-bis(salicylaldimine)-3,6,9-trithiaundecane (H2L1), 1,11-bis(salicylaldimine)-6-oxa-3,9-dithiaundecane (H2L2), and 1,8-bis(salicylaldimine)-3,6-dithiaundecane (H2L3), syntheses for [Cu(L1)]2 (I), Cu(L2)·CH3OH (II), Cu(L3) (III), [Cu(HL3)][CH3COO] (IV), [Cu(HL1-sal)]Cl2 (V), Cu4(L1)2Br4(H2O)2·2H2O (VI) and Cu2(L2)Br2·xH2O (VII) are described. Single crystal X-ray structural studies for I, III and VII are reported. Variable temperature magnetic susceptibility studies of I, VI and VII are discussed. The examination of VII represents the first magneto-structural study of a binuclear copper(II) species with NSO3Br coordination spheres. This study examines perturbation by one or more of the donor atoms so that none of the known magnetostructural models predicts the copper–copper coupling.

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