0000000001304462

AUTHOR

Duncan W. Bruce

showing 12 related works from this author

Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives

2016

A series of five crystal structures of 1:1 halogen-bonded complexes were obtained from 4-[5-(4-alkoxyphenyl)-1,3,4-oxadiazole-2-yl]pyridine and 1,3,5-trifluorotriiodobenzene. Electronic structure calculations show that the N(oxadiazole)⋯I interaction in the new synthon is as strong as the classic N(pyridine)⋯I interaction. Oxygen to sulfur atom subsitution on the oxadiazole ring results in a different supramolecular packing where the N(pyridine)⋯I interaction is favored, which could be rationalized by the changes in the molecular electrostatic potential predicted from the theoretical calculations.

010405 organic chemistryStereochemistrySynthonSupramolecular chemistryOxadiazoleGeneral ChemistryCrystal structureElectronic structure010402 general chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciences0104 chemical scienceschemistry.chemical_compoundCrystallographychemistryHalogenPyridineGeneral Materials ScienceCrystEngComm
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Superfluorinated ionic liquid crystals based on supramolecular, halogen-bonded anions

2016

Unconventional ionic liquid crystals in which the liquid crystallinity is enabled by halogen-bonded supramolecular anions [CnF2 n+1-I⋯I⋯I-CnF2 n+1]- are reported. The material system is unique in many ways, demonstrating for the first time 1) ionic, halogen-bonded liquid crystals, and 2) imidazolium-based ionic liquid crystals in which the occurrence of liquid crystallinity is not driven by the alkyl chains of the cation. Out of the ordinary: The high directionality of halogen bonds and the fluorophobic effect were exploited in the design and synthesis of a new family of unconventional superfluorinated ionic liquid crystals. The liquid crystallinity of the system is driven by halogen-bonded…

116 Chemical sciencesInorganic chemistry1600Supramolecular chemistryIonic bonding010402 general chemistry01 natural sciencesCatalysissupramolecular chemistryCrystallinitychemistry.chemical_compoundLiquid crystal1503ta116Alkylchemistry.chemical_classificationHalogen bondionic liquid crystal010405 organic chemistryChemistryCommunicationChemistry (all)Self-assemblyGeneral MedicineGeneral Chemistryself-assemblyFluorophobic effect; Halogen bonding; Ionic liquid crystals; Self-assembly; Supramolecular chemistry; Chemistry (all); CatalysisCommunicationsfluorophobic effect0104 chemical sciencesCrystallographyhalogen bondingIonic liquidIonic liquid crystalsSettore CHIM/07 - Fondamenti Chimici Delle TecnologieFluorophobic effectSelf-assemblyHalogen bondingionic liquid crystalsSupramolecular chemistry
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Synthesis and mesomorphism of related series of triphilic ionic liquid crystals based on 1,2,4-triazolium cations

2021

Abstract The synthesis, liquid crystal and conductivity properties of a series of 27 salts based on the 5-(4-(alkyloxy)phenyl)-1,2,4-triazol-4-ium cation bearing a perfluoroalkyl chain with triflate, tetrafluoroborate and bistriflimide anion are reported. The cations are regarded as triphilic on account of their three distinct regions – hydrocarbon, fluorocarbon and ionic. The mesophases were characterised by a combination of polarised optical microscopy, calorimetry and small-angle scattering experiments using both X-rays and neutrons, while thermal stability was probed using thermogravimetric analysis. The liquid crystal properties are found to be dependent on the anion and the length of …

Thermogravimetric analysis3104TetrafluoroborateMaterials science3107Impedance spectroscopyIonic bonding02 engineering and technology010402 general chemistry01 natural sciencesSettore CHIM/12 - Chimica Dell'Ambiente E Dei Beni Culturalichemistry.chemical_compoundLiquid crystalMaterials ChemistryThermal stabilityBistriflimidePhysical and Theoretical Chemistry16071606SpectroscopySANSSAXSSettore CHIM/06 - Chimica Organica021001 nanoscience & nanotechnologyCondensed Matter PhysicsAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic MaterialsCrystallographyTriphilicchemistryIonic liquid25052504Ionic liquid crystal0210 nano-technologyTrifluoromethanesulfonateJournal of Molecular Liquids
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1,2,4-Triazolium ions as flexible scaffolds for the construction of polyphilic ionic liquid crystals

2018

A novel scaffold for the construction of self-organised ionic liquids and ionic liquid crystals bearing both perfluorocarbon and hydrocarbon moieties has been developed. The phase behaviour and physical properties of these materials can be tuned as a function of chain length and fluorine content and significant structural elaboration is possible, giving a highly flexible system.

Materials Chemistry2506 Metals and AlloysMaterials scienceSurfaces Coatings and Filmchemistry.chemical_elementCeramics and Composite02 engineering and technology010402 general chemistry01 natural sciencesCatalysisCatalysiIonCatalysischemistry.chemical_compoundPhase (matter)Materials Chemistrychemistry.chemical_classificationElectronic Optical and Magnetic MaterialChemistry (all)Metals and AlloysGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChain lengthHydrocarbonchemistryChemical engineeringIonic liquidCeramics and CompositesFluorine25060210 nano-technologyChemical Communications
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CCDC 1409980: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

4-(5-(4-(nonyloxy)phenyl)-134-oxadiazol-2-yl)pyridine 135-trifluoro-246-triiodobenzeneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1446403: Experimental Crystal Structure Determination

2016

Related Article: Gabriella Cavallo, Giancarlo Terraneo, Alessandro Monfredini, Marco Saccone, Arri Priimagi, Tullio Pilati, Giuseppe Resnati, Pierangelo Metrangolo, Duncan W. Bruce|2016|Angew.Chem.,Int.Ed.|55|6300|doi:10.1002/anie.201601278

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters1-Ethyl-3-methylimidazolium iodide bis(11122334455667788-heptadecafluoro-8-iodo-octane)Experimental 3D Coordinates
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CCDC 1409978: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(4-(5-(4-(nonyloxy)phenyl)-134-thiadiazol-2-yl)pyridine) 135-trifluoro-246-triiodobenzene
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CCDC 1409982: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters4-(5-(4-(heptyloxy)phenyl)-134-oxadiazol-2-yl)pyridine 135-trifluoro-246-triiodobenzeneExperimental 3D Coordinates
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CCDC 1409983: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters4-(5-(4-(hexyloxy)phenyl)-134-oxadiazol-2-yl)pyridine 135-trifluoro-246-triiodobenzeneExperimental 3D Coordinates
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CCDC 1848982: Experimental Crystal Structure Determination

2018

Related Article: Alessio Riccobono, Rachel R. Parker, Adrian C. Whitwood, John M. Slattery, Duncan W. Bruce, Ivana Pibiri, Andrea Pace|2018|Chem.Commun.|54|9965|doi:10.1039/C8CC04704A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters5-[4-(decyloxy)phenyl]-14-dimethyl-3-(pentadecafluoroheptyl)-4H-124-triazol-1-ium trifluoromethanesulfonateExperimental 3D Coordinates
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CCDC 1409979: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

4-(5-(4-(decyloxy)phenyl)-134-oxadiazol-2-yl)pyridine 135-trifluoro-246-triiodobenzeneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1409981: Experimental Crystal Structure Determination

2015

Related Article: Paulina I. Hidalgo, Sergio Leal, Claudio A. Jiménez, Esteban Vöhringer-Martinez, Bárbara Herrera, Jorge Pasán, Catalina Ruiz-Pérez, Duncan W. Bruce|2016|CrystEngComm|18|42|doi:10.1039/C5CE02154E

4-(5-(4-(octyloxy)phenyl)-134-oxadiazol-2-yl)pyridine 135-trifluoro-246-triiodobenzeneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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