0000000001301778

AUTHOR

Paula Sabater

showing 4 related works from this author

Synthesis, Structure and Anion Sensing Properties of a Dicationic Bis(imidazolium)-Based Cyclophane

2018

The preparation and sensing properties of a tetracyclic cyclophane receptor containing two imidazolium rings as anion binding sites and two fluorene rings as fluorescent signaling units, are reported. The receptor behaves as a selective fluorescent chemosensor molecule for inorganic phosphates. H-NMR spectroscopical data clearly indicate the simultaneous occurrence of charge-assisted aromatic and aliphatic C−H noncovalent interactions. PCM/DFT calculations have been carried out to predict the structures of the complexes formed with one and two molecules of PF , HPO and HPO .

AnionsPhysics010405 organic chemistryGeneral Chemistry010402 general chemistry01 natural sciencesMedicinal chemistryHydrogen bonds0104 chemical scienceschemistry.chemical_compoundchemistryImidazoliumCyclophaneSensorCyclophaneChemistrySelect
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2,4,5-Trimethylimidazolium Scaffold for Anion Recognition Receptors Acting Through Charge-Assisted Aliphatic and Aromatic C–H Interactions

2016

A series of two-armed 2,4,5-trimethylimidazolium-based oxoanion receptors, which incorporate two end-capped photoactive anthracene rings, being the central core an aromatic or heteroaromatic ring, has been designed. In the presence of HP2O7(3-), H2PO4(-), and SO4(2-) anions, (1)H- and (31)P NMR spectroscopical data clearly indicate the simultaneous occurrence of several charge-assisted aliphatic and aromatic C-H noncovalent interactions, i.e., significant downfield shifts were observed for the imidazolium C(2)-CH3 protons, the methylene N-CH2 protons, and the inner aromatic proton or the outer heteroaromatic protons. Density functional theory calculations confirm the occurrence of these non…

chemistry.chemical_classificationAnthraceneProton010405 organic chemistryStereochemistryOrganic ChemistryNuclear magnetic resonance spectroscopy010402 general chemistryRing (chemistry)01 natural sciences0104 chemical sciences3. Good healthIonCrystallographychemistry.chemical_compoundchemistryNon-covalent interactionsDensity functional theoryMethyleneThe Journal of Organic Chemistry
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CCDC 1456591: Experimental Crystal Structure Determination

2016

Related Article: Paula Sabater, Fabiola Zapata, Antonio Caballero, Israel Fernández, Carmen Ramirez de Arellano, and Pedro Molina|2016|J.Org.Chem.|81|3790|doi:10.1021/acs.joc.6b00468

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters3-(9-Anthrylmethyl)-1-((6-((3-(9-anthrylmethyl)-245-trimethyl-1H-imidazol-3-ium-1-yl)methyl)pyridin-2-yl)methyl)-245-trimethyl-1H-imidazol-3-ium hexafluorophosphate acetonitrile solvateExperimental 3D Coordinates
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CCDC 1821490: Experimental Crystal Structure Determination

2018

Related Article: Paula Sabater, Faviola Zapata, Pedro Molina, Ibon Alkorta, Jose Elguero, Antonio Caballero, Carmen Ramirez de Arellano|2018|Chem. Sel.|3|3855|doi:10.1002/slct.201800809

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters22101119192728-octamethyl-1229-diaza-926-diazonianonacyclo[29.3.1.137.1912.11418.12024.12629.0434.01721]tetraconta-1(35)3(40)469(39)1014(38)151720(37)212326(36)273133-hexadecaene dihexafluorophosphateExperimental 3D Coordinates
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