Abstract A new program, PHI , with the ability to calculate magnetic properties of large spin systems and complex orbitally degenerate systems, such as clusters d‐block f‐block ions, is presented. The program can intuitively fit experimental data from multiple sources, spectroscopic data, simultaneously. extensively parallelized operate under symmetric multiprocessing, single process or GPU paradigms using a threaded, MPI model, respectively. For given problem been shown be almost 12 times...

The nanoporous metal-organic framework Fe2(azpy)4(NCS)4.(guest) (azpy is trans-4,4'-azopyridine) displays reversible uptake and release of guest molecules contains electronic switching centers that are sensitive to the nature sorbed guests. this material arises from presence iron(II) spin crossover within lattice, phases undergoing "half-spin" crossovers, desorbed phase showing no property. interpenetrated structure a considerable flexibility with release, causing substantial changes in...

The nanoporous metal-organic framework [Fe(pz)Ni(CN)(4)], 1 (where pz is pyrazine), exhibits hysteretic spin-crossover at ambient conditions and robust to the adsorption desorption of a wide range small molecular guests, both gases (N(2), O(2), CO(2)) vapors (methanol, ethanol, acetone, acetonitrile, toluene). Through comprehensive analysis structure, host-guest properties, behaviors, it found that this pillared Hofmann system uniquely displays guest-exchange-induced changes...

Butterfly magnet: The replacement of diamagnetic CoIII for CrIII in a 3d-4f butterfly complex results vastly improved single-molecule magnet properties. Longer relaxation times are found, with magnetic hysteresis observed. This is due to exchange interactions between the DyIII and ions, resulting multilevel barrier significantly reduced quantum tunneling magnetization. As service our authors readers, this journal provides supporting information supplied by authors. Such materials peer...

The use of an amino-pyridyl substituted β-diketone, N-(2-pyridyl)-ketoacetamide (paaH), has allowed for the isolation two new families isostructural mononuclear lanthanide complexes with general formulae: [Ln(paaH*)2(H2O)4][Cl]3·2H2O (Ln = Gd (1), Tb (2), Dy (3), Ho (4), Er (5) and Y (6)) [Ln(paaH*)2(NO3)2(MeOH)][NO3] (7), (8), (9) (10)). dysprosium members each family (3 8) show interesting slow magnetic relaxation features. Compound 3 displays Single Molecule Magnet (SMM) behaviour in zero...

The isomorphous rutile-related network structures of Co(dca)2, Ni(dca)2 and Cu(dca)2, dca = dicyanamide, N(CN)2–, are shown to behave as ferromagnets (Tc 9 20 K) a near-paramagnet, respectively.

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTMagnetic properties and zero-field splitting in high-spin manganese(III) complexes. 1. Mononuclear polynuclear Schiff-base chelatesBrendan J. Kennedy Keith S. MurrayCite this: Inorg. Chem. 1985, 24, 10, 1552–1557Publication Date (Print):May 1, 1985Publication History Published online1 May 2002Published inissue 1 1985https://pubs.acs.org/doi/10.1021/ic00204a029https://doi.org/10.1021/ic00204a029research-articleACS PublicationsRequest reuse...

The porous coordination framework material, Fe(NCS)2(bped)2·3EtOH, SCOF-3(Et) (where bped is dl-1,2-bis(4'-pyridyl)-1,2-ethanediol), displays a spin-crossover (SCO) transition that has been stimulated both thermally and by light irradiation. one-step thermal SCO (70−180 K) sensitive to the presence of molecular guests, with more gradual (70−225 apparent following desorption ethanol molecules hydrogen bond spin centers. Additional intraframework hydrogen-bonding interactions stabilize vacant...

The electronic switching properties of the nanoporous spin crossover framework [Fe(NCS)2(bpbd)2]·x(guest), SCOF-2, can be rationally manipulated via sorption a range molecular guests (acetone, ethanol, methanol, propanol, 1-acetonitrile) into 1-D channels this material. Pronounced changes to are related directly steric and influence individual guests: degree lattice cooperativity, as reflected in abruptness transition presence hysteresis, is strongly influenced by cooperative host−guest...

The use of triethanolamine (teaH3) in 3d/4f chemistry produces the enneanuclear cluster compound [CuII5GdIII4O2(OMe)4(teaH)4(O2CC(CH3)3)2(NO3)4]·2MeOH·2Et2O (1·2MeOH·2Et2O) whose molecular structure comprises a series vertex- and face-sharing {GdIIICuII3} tetrahedra. Magnetic studies reveal large number spin states populated even at lowest temperatures investigated. Combined with high magnetic isotropy, this enables 1 to be an excellent refrigerant for low temperature applications.

Abstract This review describes the recent advances made in syntheses, structures (including use of synchrotron sources and variable‐temperature crystal PXRD determinations unit cell axes), magnetism, photomagnetism dinuclear 1‐D chain spin‐crossover compounds (primarily) iron(II), iron(III) cobalt(II). It focuses on work author's group also includes a discussion related by other groups. In particular, early ongoing Kahn, Real, Gütlich co‐workers bipyrimidine‐bridged Fe II materials has been...

The nanoporous metal-organic framework, Fe(bpe)2(NCS)2 x 3(acetone), SCOF-4(Ac) (where bpe is 1,2-bis(4'-pyridyl)ethane), displays a two-step spin crossover (SCO) transition (65-155 K) that sensitive to the presence of acetone guest molecules. Structural analyses have revealed structural phase transition, from tetragonal (P42(1)c) orthorhombic (P2(1)2(1)2), associated with defines checkerboard-like ordering sites at high-spin:low-spin plateau. reversible desorption species accompanied by...

Bottoms up! A discrete metallo-supramolecular nanoball (see picture), synthesized by using "bottom-up" methodologies, uniquely undergoes a solvent-sensitive, physically addressable electronic spin switching. The switching occurs thermal, light, or solvent perturbation, where importantly it can be switched "on" "off" green red laser irradiation, respectively.

A toroidal magnetic moment in the absence of conventional total is observed a {Dy(6)} ring. The reason for net arrangement local moments high symmetry complex combination with strong intra-molecular dipolar interactions between Dy ions. description single-ion and inter-ion anisotropic achieved here first time fully ab initio, i.e., without use phenomenological parameters.

Using a heterometallic approach the synthesis, structures, and magnetic properties are reported for complexes [Ln(III)(2)Co(III)(2)(OMe)(2)(teaH)(2)(O(2)CPh)(4)(MeOH)(4)](NO(3))(2)·MeOH·H(2)O {Ln = Gd (1a), Tb (2a), Dy (3a)} [Ln(III)(2)Co(III)(2)(OMe)(2)(teaH)(2)(O(2)CPh)(4)(MeOH)(2)(NO(3))(2)]·MeOH·H(2)O (1b), (2b), (3b)}. Both compounds respective lanthanide ions found to be isolated within same crystal. Each Ln(III) dinuclear unit is incorporated diamagnetic Co(III)/organic ligand...

In this communication, we have proposed a novel synthetic strategy to increase the effective energy barrier (<italic>U</italic>_eff) of dysprosium(<sc>iii</sc>) single ion magnets using diamagnetic metal such as Zinc(<sc>ii</sc>).

CoCo loco! Ligand-bridged dimers (see picture) with the shortest known Co–Co interactions are first amidinato and guanidinato cobalt(I) complexes. The nature of has been probed by magnetic theoretical investigations, shown to be multiconfigurational. Preliminary reactivity studies complexes have also carried out. Detailed facts importance specialist readers published as ”Supporting Information”. Such documents peer-reviewed, but not copy-edited or typeset. They made available submitted...

Newly synthesised {Cr^III₂Dy^III₂} single molecule magnets reveal that the size of anisotropy barrier is related to strength magnetic exchange interaction in complex.

A modified method for the production of cubic and spherical superparamagnetic nanoparticles is presented. Cubic can be made that are highly monodisperse down to a diameter 8 nm. detailed study presented physical properties these using high-resolution transmission electron microscopy analysis, X-ray powder diffraction, superconducting quantum interference device measurements, relaxivity measurements performed in magnetic resonance imaging scanner. It found iron oxide have higher degree...

Three isostructural hexanuclear lanthanide(III) clusters are reported (Ln(III) = Gd, Tb, and Dy). The metallic core of each complex displays an unusual arrangement ions, which is stabilized by a μ(6)-carbonate ligand. Magnetic studies show that the Ln(III) ions in compound weakly exchange coupled, with Tb Dy analogues displaying single-molecule-magnet behavior.

We have shown for the first time, by simply exploiting hard/soft nature of ligands, single ion magnetic anisotropy Co(<sc>ii</sc>) tetrahedral complexes can be switched (+ve to −ve or<italic>vice versa</italic>) rationally.

Abstract Synthesis, crystal structures and magnetic studies are reported for four new heterometallic Cu II –Ln III clusters. The reaction of Cu(NO 3 ) 2 ⋅ 3H O with triethanolamine (teaH ), pivalic acid, triethylamine Ln(NO 6H (Ln=Gd, Tb, Dy Ho) results in the formation isostructural nonanuclear complexes general formula [Cu 5 Ln 4 (teaH) {O CC(CH } (NO (OMe) ] M eOH 2Et [Ln=Gd ( 1 Tb Ho )]. metal core each cluster is made up face‐ vertex‐sharing tetrahedral units. Solid‐state DC...