0000000000371399

AUTHOR

Carmen Rotger

showing 11 related works from this author

Water-Soluble Squaramide Dihydrates: N-Methylation Modulates the Occurrence of One- and Two-Dimensional Water Clusters through Hydrogen Bonding and D…

2018

Water confined in molecular size domains is distinct to bulk water. The altered interactions between adjacent water molecules, and between water molecules and molecular wall components of the confinement system, determine aspects of important phenomena in material science, biology, and nanotechnology. The structural determination of confined water, however, has proven to be challenging. Here, we describe the crystal structures of three related squaramides 1–3 whose molecular structures are modulated by the gradual incorporation of N-methyl groups to the squaramide moiety. The three squaramides differ in their hydrogen bonding capabilities due to the different degree of N-methylation of each…

010405 organic chemistryHydrogen bondChemistrySquaramideGeneral ChemistryCrystal structureN methylation010402 general chemistryCondensed Matter Physics01 natural sciences0104 chemical sciencesDipoleWater solubleChemical physicsMoleculeMoietyGeneral Materials ScienceCrystal Growth & Design
researchProduct

Grafted squaramide monoamine nanoparticles as simple systems for sulfate recognition in pure water.

2012

New simple systems formed by a chain containing a squaramide function and a quaternised amine group attached to boehmite or silica-coated boehmite nanoparticles are able to discriminate anions in pure water.

BoehmiteMetals and AlloysSquaramideNanoparticleGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundMonoamine neurotransmitterchemistryPolymer chemistryMaterials ChemistryCeramics and CompositesOrganic chemistryAmine gas treatingSulfateChemical communications (Cambridge, England)
researchProduct

Conformational Isomerism: Influence of the Z / E Isomerism on the Pathway Complexity of a Squaramide‐Based Macrocycle (Small 7/2021)

2021

BiomaterialsSupramolecular polymerschemistry.chemical_classificationChemistryStereochemistryHydrogen bondSquaramideGeneral Materials ScienceGeneral ChemistryConformational isomerismBiotechnologySmall
researchProduct

Influence of theZ/EIsomerism on the Pathway Complexity of a Squaramide‐Based Macrocycle

2020

The rising interest on pathway complexity in supramolecular polymerization has prompted the finding of novel monomer designs able to stabilize kinetically trapped species and generate supramolecular polymorphs. In the present work, the exploitation of the Z/E (geometrical) isomerism of squaramide (SQ) units to produce various self-assembled isoforms and complex supramolecular polymerization pathways in methylcyclohexane/CHCl3 mixtures is reported for the first time. This is achieved by using a new bissquaramidic macrocycle (MSq) that self-assembles into two markedly different thermodynamic aggregates, AggA (discrete cyclic structures) and AggB (fibrillar structures), depending on the solven…

Supramolecular chemistry02 engineering and technology010402 general chemistry01 natural sciencesPolymerizationBiomaterialschemistry.chemical_compoundIsomerismSpectroscopy Fourier Transform InfraredGeneral Materials ScienceConformational isomerismchemistry.chemical_classificationQuinineHydrogen bondSquaramideHydrogen BondingGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesSupramolecular polymersCrystallographyMonomerPolymerizationchemistryMethylcyclohexane0210 nano-technologyBiotechnologySmall
researchProduct

Dual role of silver in a fluorogenic N-squaraine probe based on Ag(i)–π interactions

2021

In the presence of Ag(I), the monoanion of cyano-N-squaraine (I) generates an intense fluorescence turn-on response. Experimental evidence and DFT calculations reveal a sequence of deprotonation-coordination events in which the Ag(I) ions play a dual role as a Lewis acid and coordinating metal. The observed effect is highly selective for Ag(I) compared to other metals.

010405 organic chemistryChemistry010402 general chemistryHighly selective01 natural sciences0104 chemical sciencesIonInorganic ChemistryMetalCrystallographyDual rolevisual_artIntense fluorescencevisual_art.visual_art_mediumLewis acids and basesSequence (medicine)Dalton Transactions
researchProduct

Binding Mode and Selectivity of a Scorpiand-Like Polyamine Ligand to Single- and Double-Stranded DNA and RNA: Metal- and pH-Driven Modulation

2017

The interaction of a polyazacyclophane ligand having an ethylamine pendant arm functionalized with an anthryl group (L), with the single-stranded polynucleotides polyA, polyG, polyU, and polyC as well as with the double-stranded polynucleotides polyA-polyU, poly(dAT)(2), and poly(dGC)(2) has been followed by UV/Vis titration, steady state fluorescence spectroscopy, and thermal denaturation measurements. In the case of the single-stranded polynucleotides, the UV/Vis and fluorescence titrations permit to distinguish between sequences containing purine and pyrimidine bases. For the double-stranded polynucleotides the UV/Vis measurements show for all of them hypochromicity and bathochromic shif…

StereochemistryIntercalation (chemistry)DNA Single-Stranded010402 general chemistryLigands01 natural sciencesCatalysissupramolecular chemistryNucleobaseMolecular recognitionCoordination Complexesfluorescent probesBathochromic shiftPolyaminesFluorescent DyesQuenching (fluorescence)010405 organic chemistryChemistryLigandOrganic ChemistryGeneral ChemistryDNAHydrogen-Ion ConcentrationnucleobasesFluorescenceIntercalating Agents0104 chemical sciencesSpectrometry FluorescencePolynucleotideRNASpectrophotometry Ultravioletmolecular recognition
researchProduct

Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical.

2010

A minimalist squaramide-based chemodosimeter for Cu(2+) is described. Upon selective chelation to 2, Cu(2+) induces the formation of a highly colored zwitterionic radical, which is kinetically stable for hours. The presence of a radical is confirmed by EPR and ESI-MS. It is then possible to use reagent 2 for visual and selective sensing of Cu(2+) at neutral pH.

Free RadicalsChemistryChromogenicOrganic ChemistrySquaramideElectron Spin Resonance SpectroscopyWaterHydrogen-Ion ConcentrationPhotochemistryBiochemistryAmideslaw.inventionchemistry.chemical_compoundlawZwitterionReagentChelationPhysical and Theoretical ChemistryNeutral phElectron paramagnetic resonanceOxidation-ReductionCopperCyclobutanesChelating AgentsOrganic letters
researchProduct

CCDC 2071315: Experimental Crystal Structure Determination

2021

Related Article: Manel Vega, Salvador Blasco, Enrique García-España, Bartolomé Soberats, Antonio Frontera, Carmen Rotger, Antonio Costa|2021|Dalton Trans.|50|9367|doi:10.1039/D1DT01408K

Space GroupCrystallographyCrystal SystemCrystal Structuretetra-n-butylammonium 2-(4-cyanoanilino)-4-[(4-cyanophenyl)imino]-3-oxocyclobut-1-en-1-olateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1814073: Experimental Crystal Structure Determination

2018

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401

Space GroupCrystallographyCrystal System26-dimethyl-26-diazabicyclo[5.2.0]non-1(7)-ene-89-dione dihydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1814074: Experimental Crystal Structure Determination

2018

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401

Space GroupCrystallography2-methyl-26-diazabicyclo[5.2.0]non-1(7)-ene-89-dione dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1814075: Experimental Crystal Structure Determination

2018

Related Article: Marta Ximenis, Javier Pitarch-Jarque, Salvador Blasco, Carmen Rotger, Enrique García-España, Antonio Costa|2018|Cryst.Growth Des.|18|4420|doi:10.1021/acs.cgd.8b00401

Space GroupCrystallography26-diazabicyclo[5.2.0]non-1(7)-ene-89-dione dihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct