Search results for " Supramolecular interaction"

showing 3 items of 3 documents

Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals

2021

We carried out a systematic evaluation of the packing forces in co-crystals featuring monoiodo- and diiodo-perfluoroalkanes and 1,2,4-oxadiazoles through single crystal X-ray diffraction and theoretical analysis. The molecules assemble via a combination of halogen bonding and specific dispersive interactions involving the perfluorinated units. We quantitatively elucidated the nature and strength of such interactions through solid-state calculations and Hirshfeld surface analysis. One of the co-crystals, formed by two monoiodoperfluorodecane molecules, the longest perfluorinated chain ever solved at the atomic level, allowed us to fully highlight the role of fluorous interactions.

DiffractionMaterials scienceHalogen bondperfluorocarbonSettore CHIM/06 - Chimica OrganicaGeneral ChemistryCondensed Matter PhysicsmodellingCrystallographyChain (algebraic topology)crystal engineeringMoleculehalogen bondGeneral Materials Sciencehalogen bonding supramolecular interactions crystal packingSingle crystalCrystEngComm
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Halloysite nanotubes: a green resource for materials and life sciences

2020

Clay minerals are considered one of the materials of the 20th century for their peculiar physico-chemical features. Among them, halloysite nanotubes (HNTs) are an emerging nanomaterial with a particular tubular structure that makes them a low cost and valuable alternative to the most common carbon nanotubes. Due to their tubular morphology, HNTs are employed in several fields acting as nanocontainers for different compounds for applications in drug carrier and delivery fields, catalysis, and as filler for polymeric matrices. The modification of HNTs’ surfaces allows to the synthesis of different nanoarchitectures that can improve the mechanical and thermal performance of polymer as well as …

Filler (packaging)Materials scienceSupramolecular chemistryNanotechnologyCarbon nanotubeengineering.material01 natural sciencesHalloysiteNanomaterialslaw.invention03 medical and health scienceslawHalloysite nanotubes Covalent modification Supramolecular interaction Drug carrier and delivery Catalysis0103 physical sciences010303 astronomy & astrophysicsGeneral Environmental ScienceSettore CHIM/02 - Chimica Fisicachemistry.chemical_classification0303 health sciencesPolymerSettore CHIM/06 - Chimica Organica030301 anatomy & morphologychemistryengineeringGeneral Earth and Planetary SciencesSurface modificationGeneral Agricultural and Biological SciencesDrug carrier
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Supramolecular functionalization and concomitant enhancement in properties of Au25 clusters

2014

We present a versatile approach for tuning the surface functionality of an atomically precise 25 atom gold cluster using specific host-guest interactions between ?-cyclodextrin (CD) and the ligand anchored on the cluster. The supramolecular interaction between the Au25 cluster protected by 4-(t-butyl)benzyl mercaptan, labeled Au25SBB18, and CD yielding Au25SBB18�?�CDn (n = 1, 2, 3, and 4) has been probed experimentally using various spectroscopic techniques and was further analyzed by density functional theory calculations and molecular modeling. The viability of our method in modifying the properties of differently functionalized Au25 clusters is demonstrated. Besides modifying their optoe…

Gold clusterta214Molecular modelta114General EngineeringSupramolecular chemistryGeneral Physics and AstronomyCombinatorial chemistrychemistry.chemical_compoundBenzyl mercaptanchemistryComputational chemistryMolecular ProbesSpectrometry Mass Matrix-Assisted Laser Desorption-IonizationCluster (physics)Surface modificationMoleculeGeneral Materials ScienceDensity functional theorySpectrophotometry UltravioletGoldAmerican Chemical Society; Host guest interactions; Inclusion complex; Optoelectronic properties; Quantum clusters; Spectroscopic technique; Supramolecular interactions; Surface functionalities; Biocompatibility; Cyclodextrins; Ligands; Metal ions; Supramolecular chemistry; Gold compounds; gold; article; chemistry; mass spectrometry; molecular probe; ultraviolet spectrophotometry; Gold; Molecular Probes; Spectrometry Mass Matrix-Assisted Laser Desorption-Ionization; Spectrophotometry UltravioletACS Nano
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