Author: Guillem Aromí

Double-CO32− Centered [CoII5] Wheel and Modeling of Its Magnetic Properties

2010

A high-spin Co(II) cluster with a rare pentagonal molecular structure and formula [Co(5)(CO(3))(2)(bpp)(5)]ClO(4) (1; Hbpp is 2,6-bis(phenyliminomethyl)-4-methylphenolate) has been synthesized and characterized by single-crystal X-ray diffraction. This topology arises from fusing five [Co(2)(bpp)] moieties in a cyclic manner around two CO(3)(2-) central ligands, resulting in propeller-like configuration. The irregular coordination of the carbonate ions to the metal centers results in a combination of coordination numbers (CNs) of the Co(II) ions of five and six. The bulk magnetization of this complicated magnetically exchanged system has been modeled successfully by employing a matrix diago…

crystal structureCoordination numberInorganic chemistrycarbonatesCatalysisIonCoordination complexMetalMagnetizationCluster (physics)Moleculecarbonate ligandschemistry.chemical_classificationOrganic Chemistrycarbonate ligands; carbonates; cobalt; coordination chemistry; density functional calculations; magnetic properties; spin-orbit coupling; crystal structure.General ChemistrySpin–orbit interactioncobaltspin-orbit couplingCrystallographychemistryvisual_artdensity functional calculationscoordination chemistryvisual_art.visual_art_mediummagnetic propertiesChemistry - A European Journal

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Heteroleptic Iron(II) Spin-Crossover Complexes Based on a 2,6-Bis(pyrazol-1-yl)pyridine-type Ligand Functionalized with a Carboxylic Acid

2019

Two new heteroleptic complexes [Fe- (1bppCOOH)(3bpp-bph)](ClO4)2·solv (1·solv, solv = various solvents; 1bppCOOH = 2,6-bis(1H-pyrazol-1-yl)- isonicotinic acid; 3bpp-bph = 2,6-bis(5-([1,1′-biphenyl]-4- yl)-1H-pyrazol-3-yl)pyridine) and [Fe(1bppCOOH)- (1bppCOOEt)](ClO4)2 ·0.5Me2CO (2·0.5Me2CO, 1bppCOOEt = ethyl 2,6-bis(1H-pyrazol-1-yl)isonicotinate) were designed and prepared. The heteroleptic compound 1· solv was obtained by the combination of stoichiometric amounts of Fe(ClO4)2, 1bppCOOH, and 3bpp-bph, and it was designed to fine-tune the spin crossover (SCO) properties with respect to the previously reported homoleptic compound [Fe(1bppCOOH)2](ClO4)2. Indeed, the introduction of a new subs…

chemistry.chemical_classification010405 organic chemistryLigandCarboxylic acidEnllaços químicsQuímica organometàl·licaKetones010402 general chemistryIsonicotinic acidLigands01 natural sciencesMedicinal chemistry0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundLligandschemistrySpin crossoverCetonesPyridineCompostos de coordinacióPhysical and Theoretical ChemistryInorganic Chemistry

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Special Issue 'Spin Crossover (SCO) Research'

2016

This special issue, entitled “Spin Crossover (SCO) Research”, illustrates the current relevance of a focused topic, which is inturn highly versatile. Indeed, the collection of papers presented constitutes a sampler that shows the topical importance of this area by attracting the interest of many top researchers and how it is approached under a multidisciplinary perspective.[...]

Computer sciencePropietats magnètiquesMagnetoquímicaNanotechnology02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologyLigands01 natural sciences0104 chemical sciencesElectronic Optical and Magnetic MaterialsLligandsChemistry (miscellaneous)Multidisciplinary approachSpin crossoverMagnetic propertiesMaterials ChemistryRelevance (information retrieval)Engineering ethics0210 nano-technologyMagnetochemistry

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Snapshots of a solid-state transformation: Coexistence of three phases trapped in one crystal

2016

Crystal-to-crystal transformations have been crucial in the understanding of solid-state processes, since these may be studied in detail by means of single crystal X-ray diffraction (SCXRD) techniques. The description of the mechanisms and potential intermediates of those processes remains very challenging. In fact, solid-state transient states have rarely been observed, at least to a sufficient level of detail. We have investigated the process of guest extrusion from the non-porous molecular material [Fe(bpp)(HL)](ClO)·1.5CHO (bpp = 2,6-bis(pyrazol-3-yl)pyridine; HL = 2,6-bis(5-(2-methoxyphenyl)-pyrazol-3-yl)pyridine; CHO = acetone), which occurs through ordered diffusion of acetone in a c…

DiffractionCristal·lografiaCalorimetry010402 general chemistry7. Clean energy01 natural sciencesSolid state chemistryCrystalsymbols.namesakePhase (matter)QDDiffusion (business)Difracció de raigs XSpectroscopyCrystallography010405 organic chemistryChemistryX-rays diffractionGeneral ChemistryEspectroscòpia Raman0104 chemical sciencesQuímica de l'estat sòlidCrystallographyChemical physicsCalorimetriaRaman spectroscopyChemical SciencesX-ray crystallographysymbolsRaman spectroscopySingle crystalChemical Science

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