Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:), [N(C4H9)4] [Tb(C8H4N2)2] · CH3OH · H2O, and tetrabutylammonium bis(phthalo€yaninato)dyspiosium(III) methanol solvate hydrate (1:1:1), [N(C4H9)4] [Dy(C8H4N2)2 · CH3OH ·H2O

Loosli, C.; Liu, S.-X.; Neels, Antonia; Labat, G.; Decurtins, S.

doi:10.1524/ncrs.2006.221.14.135

Cited by 3 publications

(3 citation statements)

References 3 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In the absence of literature data for terbium ions, the Lennard-Jones parameters for Tb 4+ were arbitrarily set equal to the ones derived for Eu 3+ /Gd 3+ by van Veggel et al (σ = 3.3 Å, ε = 0.05 kcal/mol). To verify the realism of this choice, we compared the energy-minimized geometry of the complex obtained by our force field with the crystal structure of a similar Tb−phthalocyanines complex present in the Cambridge Crystallographic Database (JERGAP), finding that the distances between Tb 4+ and the i Pc 2− nitrogens were reproduced to within 0.1 Å by the FF, being close to 2.43−2.44 Å in both cases. All the other parameters for the i Pc 2 Tb complex were taken from the GAFF force field .…”

Section: Methodsmentioning

confidence: 99%

Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

et al. 2011

View full text Add to dashboard Cite

The two-dimensional self-assembly of a terbium(III) double-decker phthalocyanine on highly oriented pyrolitic graphite (HOPG) was studied by atomic force microscopy (AFM), and it was shown that it forms highly regular rectangular two-dimensional nanocrystals on the surface, that are aligned with the graphite symmetry axes, in which the molecules are organized in a rectangular lattice as shown by scanning tunneling microscopy. Molecular dynamics simulations were run in order to model the behavior of a collection of the double-decker complexes on HOPG. The results were in excellent agreement with the experiment, showing that-after diffusion on the graphite surface-the molecules self-assemble into nanoscopic islands which align preferentially along the three main graphite axes. These low dimension assemblies of independent magnetic centers are only one molecule thick (as shown by AFM) and are therefore very interesting nanoscopic magnetic objects, in which all of the molecules are in interaction with the graphite substrate and might therefore be affected by it. The magnetic properties of these self-assembled bar-shaped islands on HOPG were studied by X-ray magnetic circular dichroism, confirming that the compounds maintain their properties as single-molecule magnets when they are in close interaction with the graphite surface.

show abstract

Section: Methodsmentioning

confidence: 99%

Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

et al. 2011

View full text Add to dashboard Cite

show abstract

“…For [Dy III Pc 2 ] − , where Pc 2− is phthalocyaninato, the central Dy III ion has a square antiprism geometry and a C 4 symmetry axis. The distance of the Dy III ion from the two mean planes of nitrogen atoms of the Pc 2− cavity are 1.38 Å and 1.40 Å with an average Dy III ‐N bond distance of 2.41 Å [36] . These structural features lead to a calculated ground level with M j =±13/2 favoring a rather large magnetic anisotropy and therefore a SMM behavior as observed experimentally for [Dy III Pc 2 ] − [37] .…”

Section: Resultsmentioning

confidence: 52%

“…The distance of the Dy III ion from the two mean planes of nitrogen atoms of the Pc 2À cavity are 1.38 Å and 1.40 Å with an average Dy III -N bond distance of 2.41 Å. [36] These structural features lead to a calculated ground level with M j = � 13/2 favoring a rather large magnetic anisotropy and therefore a SMM behavior as observed experimentally for [Dy III Pc 2 ] À . [37] For 1, 2 and 3, the distance between the Dy III and mean plane of oxime oxygen atoms of the MC cavity is 1.61, 1.57, and 1.46 Å, respectively, with an average Dy III -O ox bond distance of 2.45, 2.44, and 2.39 Å, respectively, while the distance between the Dy III and mean plane of carboxylate oxygen atoms of the dicarboxylate anions are shorter (1.08, 1.10, and 1.15 Å, respectively), with also shorter average Dy III -O carb bond lengths (2.28, 2.30, and 2.31 Å, respectively).…”

Section: Magnetostructural Relationshipsmentioning

confidence: 59%

Unique Dimerization Topology and Countercation Binding Modes in 12‐Metallacrown‐4 Compounds

et al. 2022

View full text Add to dashboard Cite

Seven dimeric metallacrowns (MC) based on Ln[12-MC M(III)N(shi) -4], where Ln III = Dy, Ho, Yb, or Y, M III = Mn or Ga, and shi 3À is salicylhydroximate, have been synthesized and characterized by single-crystal X-ray diffraction, and for the dysprosium-manganese dimers, the magnetic properties have been measured. In each dimer two Ln[12-MC M(III)N(shi) -4] units are linked by four bridging dicarboxylate anions (isophthalate, trimesate, dinicotinate, or 2,2'-dithiodibenzoate). Three different countercations (sodium, gallium(III), or pyridinium) were used to maintain charge balance of the dimer. While pyridinium does not bind to the dimer, the choice of the dicarboxylate dictates where the countercations Na + or Ga III bind. With isophthalate and trimesate, the sodium ion binds to the central MC cavity opposite of the Ln III , and with dinicotinate the sodium or gallium(III) ions bind to the pyridyl nitrogen of the dinicotinate. All three Dy 2 Mn 8 dimers exhibit an out-of-phase magnetic susceptibility signal consistent with a shallow barrier to magnetization relaxation.

show abstract

Synthesis of a Series of Monophthalocyaninato Cyclen Heavy Lanthanide(III) Complexes with Tetragonal Symmetry

et al. 2017

View full text Add to dashboard Cite

A series of the new monophthalocyaninato lanthanide complexes, [Ln(Pc)(cyclen)]Cl (Ln = Y, Tb, Dy, Ho, Er, Tm, and Yb; Pc = phthalocyaninato; cyclen = 1,4,7,10-tetraazacyclododecane) was synthesized and characterized. The crystallographic study of monophthalocyaninato complexes with a capping macrocyclic ligand having no π-conjugation while keeping the 4-fold symmetry is presented for the first time. All the six complexes were crystallized in a tetragonal structure of the I4mm space group. In addition to this, the Tb complex exhibited a triclinic crystal structure of the P1̅ space group. All of the complexes are isostructural, where both Pc and cyclen are coordinated to an Ln ion giving an eight-coordinate square-antiprismatic geometry. The skew angle between the Pc and cyclen ligands was 45° in the tetragonal crystals and 41.5° in the triclinic crystal. The metal-nitrogen bond lengths were shorter on the Pc ligand side than cyclen side, presumably due to the difference in the charges of the ligands and the steric factor.

show abstract

Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:), [N(C4H9)4] [Tb(C8H4N2)2] · CH3OH · H2O, and tetrabutylammonium bis(phthalo€yaninato)dyspiosium(III) methanol solvate hydrate (1:1:1), [N(C4H9)4] [Dy(C8H4N2)2 · CH3OH ·H2O

Cited by 3 publications

References 3 publications

Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

Surface Supramolecular Organization of a Terbium(III) Double-Decker Complex on Graphite and its Single Molecule Magnet Behavior

Unique Dimerization Topology and Countercation Binding Modes in 12‐Metallacrown‐4 Compounds

Synthesis of a Series of Monophthalocyaninato Cyclen Heavy Lanthanide(III) Complexes with Tetragonal Symmetry

Contact Info

Product

Resources

About