Author: Pau Farràs

The nature of the chlorination reaction in [1-C6H5-1-CB9H9]- boron clusters.

2010

Preferential chlorination sites resulting from sequential radical substitution reactions in carborane anions have been studied combining experimental and computational methods. Results have been obtained experimentally by mixing the substrate with incremental ratios of N-chlorosuccinimide and analysing the resulting samples by negative MALDI-TOF-MS. The theoretical results have been obtained calculating the 2a-NPA charges on the starting material and computing the most energetically favourable reaction pathway.

Inorganic ChemistryRadical substitutionComputational chemistryChemistryInorganic chemistryMixing (process engineering)CarboraneSubstrate (chemistry)Boron clustersDalton transactions (Cambridge, England : 2003)

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A convenient synthetic route to useful monobranched polyethoxylated halogen terminated [3,3 -Co(1,2-C2B9H11)2]- synthons

2009

An atom efficient and environmentally friendly route has been developed to obtain a new range of reagents in metallacarborane chemistry having monobranched polyethoxylated cobaltabisdicarbollide synthons. peer-reviewed

Inorganic ChemistryMonobranched polyethoxylated halogenChemistryChemistryReagentHalogenHalogenSynthonOrganic chemistryEnvironmentally friendlyCombinatorial chemistry

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Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids

2021

The development of synthetic approaches towards new coordination polymers has attracted significant interest due to their fascinating physical properties, as well as their use in a wide range of technological, environmental and biomedical applications. Herein, the initial combination of 2-pyridinemethanol (Hhmp) with 1,4-benzenedicarboxylic acid (H2bdc) or 1,3,5-benzenetricarboxylic acid (H3btc) has been proven a fruitful source of such new species providing access to five new coordination compounds, namely [M2(Hbtc)2(Hhmp)4]·DMF (M = CoII, 1·DMF;NiII, 2·DMF), [Ni(bdc)(Hhmp)2]n·4H2O (3·4H2O), [Zn2(bdc)(hmp)2]n·DMF (4·DMF) and [Fe3(bdc)3(Hhmp)2]n (5). 4·DMF and 5 are the first metal–organic …

chemistry.chemical_classification02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesMagnetic susceptibilityAntiferromagnetic coupling0104 chemical sciencesCoordination complexCrystallographychemistrySuperexchangeGeneral Materials Science0210 nano-technologyCrystEngComm

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A Discrete P⋅⋅⋅II⋅⋅⋅P Assembly: The Large Influence of Weak Interactions on the31P NMR Spectra of Phosphane–Diiodine Complexes

2006

Thioethers, except derivatives of [7-R-7,8-C2B9H11] , are more weakly coordinating ligands than phosphanes. This difference is evidenced by the I I distances in the spokeshaped charge-transfer (CT) complexes R2S·I2 and R3P·I2 (Figure 1). The I I distance is sensitive to the strength of the interaction between the s* LUMO orbital on I2 and the HOMO orbital of the donor atom: the stronger the donor, the longer the I I distance. In these spoke CT complexes, the I I distance varies from 3.2 0.2 7 in R3P·I2 adducts [5] to 2.80 0.05 7 in R2S·I2 adducts, [6] indicating the weaker donor character of the thioether group. Whereas extended I2 arrays, spoke adducts of I2, polyiodides, and other structu…

StereochemistryInteractionsPhosphanes010402 general chemistry01 natural sciencesCatalysisAdductPolyiodidechemistry.chemical_compoundThioetherMoleculeNon-covalent interactionsCarboranesHOMO/LUMOchemistry.chemical_classificationiodine010405 organic chemistryChemistryLigandStructure elucidationGeneral MedicineGeneral ChemistryNoncovalent0104 chemical sciencesChemistryCarboraneAngewandte Chemie International Edition

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Relaxed but highly compact diansa metallacyclophanes.

2011

A series of monoansa [μ-1,1′-PR-3,3′-Co(1,2-C2B9H10)2]− and diansa [8,8′-μ-(1″,2″-benzene)-μ-1,1′-PR-3,3′-Co(1,2-C2B9H9)2]− (R = Ph, tBu) cobaltabisdicarbollidephanes have been synthesized, characterized and studied by NMR, MALDI-TOF-MS, UV-visible spectroscopy, cyclic voltammetry, and DFT calculations. Single crystal X-ray diffraction revealed a highly relaxed structure characterized by the title angle α of 3.8° ([7]−), this being the smallest angle α for a metallacyclophane. In such compounds, the metal-to-phosphorus distance is less than the sum of their van der Waals radii. The availability of a phosphorus lone pair causes an electron delocalization through the metal, as shown by the ab…

Models MolecularElectron-transferchemistry.chemical_elementPhosphanesNanotechnologyStereoisomerism010402 general chemistryCrystallography X-Ray01 natural sciencesBiochemistryCatalysisElectron transferColloid and Surface ChemistryOrganometallic CompoundsMoleculeMetallocenophanesta116Group 2 organometallic chemistryMolecular Structure010405 organic chemistryChemistryStereoisomerismGeneral ChemistryCobalt0104 chemical sciencesChemistryPhysical chemistryQuantum TheoryMonoansaMetallacarboranesCobaltDiansaJournal of the American Chemical Society

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