Search results for "Inductive coupling"
showing 10 items of 42 documents
Isomorphous replacement of MII ions in MII–GdIII dimers (MII = CuII, MnII, NiII, CoII, ZnII): magnetic studies of the products
2011
Complexes [M(II)Gd(III){pyCO(OEt)pyC(OH)(OEt)py}₃](ClO₄)₂·EtOH [M(II) = Cu(II) (1), Mn(II) (2), Ni(II) (3), Co(II) (4) and Zn(II) (5)] crystallize in the monoclinic Cc space group and contain one hexacoordinate M(II) ion and one enneacoordinate Gd(III) ion, bridged by three {pyCO(OEt)pyC(OH)(OEt)py}⁻ ligands. Magnetic susceptibility measurements indicate a ferromagnetic interaction for 1 and antiferromagnetic interactions for 2-4. Using the Ĥ = -JŜ(Gd(III))Ŝ(M(II)) spin Hamiltonian formalism, fits to the magnetic susceptibility data yielded J values of +0.32 cm⁻¹ for 1, -1.7 cm⁻¹ for 2, and -0.22 cm⁻¹ for 3. In complex 4, the orbital contributions of Co(II) precluded the determination of th…
High-valent bis(oxo)-bridged dinuclear manganese oxamates: Synthesis, crystal structures, magnetic properties, and electronic structure calculations …
2007
[EN] Two novel bis(oxo)-bridged dinuclear manganese(IV) complexes with the binucleating ligand o-phenylenebis(oxamate) (opba), formulated as (Me4N)(4)[Mn2O2(opba)(2)] (1a) and (Me4N)(2)(Ph4P)(2)[Mn2O2(opba)(2)] (.) 8H(2)O (1b), have been synthesized and characterized structurally and magnetically. Like the parent complex (Ph4P)(4)[Mn2O2(opba)(2)] (.) 4H(2)O (1c), they possess unique Mn-2(mu-O)(2) bridging cores with two additional o-phenylenediamidate bridges which lead to exceptionally short Mn-Mn distances (2.63-2.67 angstrom) and fairly bent Mn-O-Mn angles (93.8-95.5 degrees). Complexes 1a-c show a moderate to strong antiferromagnetic coupling between the two high-spin Mn-IV ions through…
Magnetic Excitations in Tetrameric Clusters of Polyoxometalates Observed by Inelastic Neutron Scattering. Evidence for Anisotropic Exchange Interacti…
1997
Magnetic excitations in tetranuclear clusters of exchange-coupled metal ions encapsulated by polyoxotungstate ligands (1) have been observed by inelastic neutron scattering (INS) in the salts K10[M4(H2O)2(PW9O34)2]·nH2O, where M2+ = Mn, Co, and Ni. INS provides a much deeper and more detailed insight into the nature of the magnetic coupling in these clusters than bulk techniques. In particular, anisotropic exchange interactions are evidenced in the ferromagnetic Co4 cluster.
Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases
2013
Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H2O)4]·4H2O (1), [Cu(TAcO)2(H2O)2]n (2), [Cu3(TAcO)4(H2O)2(OH)2]n·4H2O (3), and [Cu3(UPrO)2Cl2(OH)2(H2O)2]n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10(-6) and 10(-9) S/cm(-1). The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex…
Study of the influence of the bridge on the magnetic coupling in cobalt(II) complexes.
2009
Two new cobalt(II) complexes of formula [Co(2)(bta)(H(2)O)(6)](n) x 2nH(2)O (1) and [Co(phda)(H(2)O)](n) x nH(2)O (2) [H(4)bta = 1,2,4,5-benzenetetracarboxylic acid, H(2)phda = 1,4-phenylenediacetic acid] have been characterized by single crystal X-ray diffraction. Compound 1 is a one-dimensional compound where the bta(4-) ligand acts as 2-fold connector between the cobalt(II) ions through two carboxylate groups in para-conformation. Triply bridged dicobalt(II) units occur within each chain, a water molecule, a carboxylate group in the syn-syn conformation, and an oxo-carboxylate with the mu(2)O(1);kappa(2)O(1),O(2) coordination mode acting as bridges. Compound 2 is a three-dimensional comp…
Dinuclear Iron(II) Spin Crossover Compounds: Singular Molecular Materials for Electronics
2006
Dinuclear spin crossover molecules can adopt three different spin-pair states: a fully diamagnetic low spin state, [LS–LS], with both iron(II) atoms in the LS state; a paramagnetic mixed spin-pair state [LS–HS]; and an antiferromagnetically coupled [HS–HS] state. Stabilisation of the [LS–HS] state depends on a subtle balance between intra- and inter-molecular interactions in the solid state, consequently, the thermal dependence of the physical and structural properties can present one-step or two-step spin transitions. The former case involves the [LS–LS] ↔ [HS–HS] transformation while in the latter case the intermediate stage responsible for the plateau, at 50% conversion between the two s…
Bis(N-naphthyl-N-phenylamino)benzophenones as exciton-modulating materials for white TADF OLEDs with separated charge and exciton recombination zones
2022
Abstract Organic semiconductors were employed as exciton modulators, blue emitters, hole-transporting materials and hosts with resonant-appropriate singlet and triplet energies for efficient and stable white organic light emitting diodes (OLEDs). Two 4,4'-bis(N-naphthyl-N-phenylamino)benzophenones were synthesized using isomeric N-naphthyl-N-phenylamines as the donors and benzophenone as the acceptor moiety. Molecular design of new compounds allowed to obtain required combination of properties, i.e. blue prompt fluorescence in solid state with singlet energies close to those of the selected blue emitter exhibiting thermally activated delayed fluorescence (TADF), low triplet energies of 2.32…
Magnetic interaction between coupled quantum dots
2000
We study the magnetic coupling in artificial molecules composed of two and four laterally coupled quantum dots. The electronic ground-state configurations of such systems are determined by applying current spin density functional theory which allows to include effects of magnetic fields. While the ground-state of a two-dot molecule with strong enough inter-dot coupling tends to be antiferromagnetic with respect to the spins of the single dot components, we find that a square lattice of four dots has a ferromagnetic ground state.
Modification of the Bloch law in ferromagnetic nanostructures
2014
The temperature dependence of magnetization in ferromagnetic nanostructures (e.g., nanoparticles or nanoclusters) is usually analyzed by means of an empirical extension of the Bloch law sufficiently flexible for a good fitting to the observed data and indicates a strong softening of magnetic coupling compared to the bulk material. We analytically derive a microscopic generalization of the Bloch law for the Heisenberg spin model which takes into account the effects of size, shape and various surface boundary conditions. The result establishes explicit connection to the microscopic parameters and differs significantly from the existing description. In particular, we show with a specific examp…
Quasi-resonant energy transfer in collisions: Na2(A1? u + )+K(4S)
1994
Cross sections for electron energy transfer from the initial rotational stateJ′of the two lowest vibrational levelsv′=0 andv′=1 of excited dimers Na2(A) to potassium atoms as described by Na2(A1Σu+,v′J′)+K(4S)→Na2 (X1Σg+,v″J″)+K(4P)+ΔE have been examined by laser-induced fluorescence. A strong increase of the cross section by as much as an order of magnitude has been observed for those dimerv′J′-levels for which the dipole transitions are close to resonance of the 4S-4P transitions in the atom (ΔE<4 cm−1). The absolute cross sections for energy transfer have been calculated by the Rabitz approximation of first-order perturbation theory. In the case of closest energy resonance (ΔE=0.9 cm−1) …