Estudio de la deslocalización electrónica e interacciones magnéticas en Clusters de alta nuclearidad

New Reactivity of 4‐Amino‐3,5‐bis(pyridin‐2‐yl)‐1,2,4‐triazole: Synthesis and Structure of a Mononuclear Species, a Dinuclear Species, and a Novel Tetranuclear Nickel(II) Rectangle Box, and Magnetic Properties of the Dinuclear and Tetranuclear Complexes

Reactions of Ni(O 2 CMe) 2 ·4H 2 O or NiCl 2 ·6H 2 O, 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole (abpt) and NaN 3 or KSCN in different molar ratios heated under reflux or hydrothermal conditions generate a mononuclear species with dimorphous phases, a dinuclear species incorporating an in situ deaminated [bpt-H] - ligand and a tetranuclear rectangle box incorporating an unprecedented μ:η 1 :η 2 :η 1 coordination mode of the deprotonated [abpt-H] - ligand. Structural analysis reveals that a pair of [Ni 2 (μ 1,1 -N 3 )(μ-OAc)] motifs in [Ni 4 (abpt) 2 -(abpt-H)(N3) 5 (Ο 2 CMe) 2 ]·5H 2 O (1) are bridged by two abpt and one [abpt-H] - units into a rectangle box. [Ni 2 (bpt-H) 2 -(SCN) 2 (H 2…

The first example of a hetero-tetranuclear [(VO)Gd](2) complex: synthesis, crystal structure and magnetic properties of [VOLGd(hfa)(2)CH(3)OH](2).2CH(3)OH.2(CH(3))(2)CO.

A cyclic tetranuclear [VIVO–GdIII]2 complex with VO and Gd ions alternately arrayed, behaves, from the magnetic point of view, as two independent dinuclear entities each having a S = 4 ground state, as a consequence of an active and ferromagnetic VO–Gd interaction through the double phenoxo bridge and a magnetically inactive VO–Gd interaction through the amide bridge.

A novel high-spin heterometallic Ni12K4cluster incorporating large Ni–azide circles and an in situ cyanomethylated di-2-pyridyl ketone

Reaction of di-2-pyridyl ketone (dpk) with nickel acetate and azide in the presence of potassium tert-butylate as a catalytic base generates the title compound, which contains the largest [Ni(m1,1-N3)]6 circles in the discrete ferromagnetically-coupled MII–azide cluster family, and shows an unprecedented in situ cyanomethylation of ketone. Clemente Juan, Juan Modesto, Juan.M.Clemente@uv.es

Synthesis, structure and magnetic properties of the one-dimensional chain compound {K[Fe(1,3,5-triazine-2,4,6-tricarboxylate)(H2O)2]·2H2O}∞

The one-dimensional chain compound {[Fe(1,3,5-triazine-2,4,6-tricarboxylate)(H2O)2]}n−n was obtained from a reaction of 1,3,5-triazine-2,4,6-tricarboxylate with Fe(II) in water at room temperature. The high-spin Fe(II) centers adopt a pentagonal bipyramid geometry with unusual ligand binding modes. Magnetic measurements revealed weak magnetic interactions between paramagnetic centers; these were modeled with both axial and rhombic distortions.

An original 1D Cu–Co heterometallic compound: synthesis, structure and magnetic properties

A novel heterobimetallic system, 1∞[LCuIICoII(NCS)2] (1), was obtained by reacting the neutral mononuclear complex [LCu] with cobalt(II) acetate in the presence of potassium thiocyanate (L is the dianion of the Schiff base resulting from the 2 ∶ 1 condensation of 3-methoxysalicylaldehyde with 1,3-propanediamine). The crystallographic investigation of 1 reveals a one-dimensional alternating zig-zag chain-like structure, made of dinuclear {LCuCo} units linked by thiocyanate bridges. The copper(II) ion is pentacoordinate to the N2O2 donor set of the Schiff base ligand in the basal plane, with the apical position occupied by the sulfur atom. The cobalt ion displays a strongly distorted (4 + 2) …

Vibronic recovering of functionality of quantum cellular automata based on bi-dimeric square cells with violated condition of strong Coulomb repulsion.

Strong Coulomb repulsion between the two charges in a square planar mixed-valence cell in quantum cellular automata (QCA) allows us to encode the binary information in the two energetically beneficial diagonal distributions of the electronic density. In this article, we pose a question: to what extent is this condition obligatory for the design of the molecular cell? To answer this question, we examine the ability to use a square-planar cell composed of one-electron mixed valence dimers to function in QCA in a general case when the intracell Coulomb interaction U is not supposed to be extremely strong, which means that it is comparable with the characteristic electron transfer energy (viol…

CCDC 2091526: Experimental Crystal Structure Determination

Related Article: Noemi N. Monni, Eduardo Andres-Garcia, Katia Caama��o, V��ctor Garc��a-L��pez, Juan Modesto Clemente Juan, M��nica Gim��nez-Marqu��s, Mariangela M. Oggianu, enzo cadoni, Guillermo Minguez Espallargas, Miguel Clemente Leon, Maria Laura Mercuri, Eugenio Coronado|2021|J.Mater.Chem.A|9|25189|doi:10.1039/D1TA07436A