Hemicryptophane 3 was found to be an efficient and selective primary alkylammonium receptor. Binding constants are 1000-fold higher than those previously reported for hemicryptophane hosts. Efficient complexation of dopamine emphasizes the use of this host for neurotransmitter complexation. Density functional theory calculations were performed and highlight host-guest complementarities.
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Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study.
ACS Nano
August 2024
J. Mike Walker'66 Department of Mechanical Engineering, Texas A&M University, College Station, Texas 77843, United States.
Article Synopsis
- Molecular dynamics simulations reveal the temperature-induced phase transition in double-layered butylammonium methylammonium lead halide perovskite ((BA)(MA)PbI), important for optoelectronic applications.
- The process is driven by the melting of N-H bonds and BA cations’ movement, which affects hydrogen bonding and transitions between low and high symmetry phases.
- The study uncovers complex interactions between BA and MA cations, as well as structural changes in the inorganic framework, highlighting a mixture of ordered and disordered behaviors leading to a fully molten state.
Studying Cation Exchange in {CrCo} Pseudorotaxanes: Preparatory Studies for Making Hybrid Molecular Machines.
Chemistry
July 2024
Department of Chemistry, The University of Manchester, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
In the design of dynamic supramolecular systems used in molecular machines, it is important to understand the binding preferences between the macrocycle and stations along the thread. Here, we apply H NMR spectroscopy to investigate the relative stabilities of a series of linear alkylammonium templated pseudorotaxanes with the general formula [HNRR'][CrCoF(OCCH Bu)] by exchanging the cation in solution. Our results show that the pseudorotaxanes are able to exchange threads via a dissociative mechanism.
View Article and Find Full Text PDFExploiting Cation Structure and Water Content in Modulating the Acidity of Ammonium Hydrogen Sulfate Protic Ionic Liquids.
J Phys Chem Lett
March 2024
Department of Chemical Engineering, Imperial College London, London SW7 2AZ, U.K.
In this paper, we investigated the effect of cation structure and water content on proton dissociation in alkylammonium [HSO] protic ionic liquids (ILs) doped with 20 wt % water and correlated this with experimental Hammett acidities. For pure systems, increased cation substitution resulted in a reduction in the number of direct anion-anion neighbors leading to larger numbers of small aggregates, which is further enhanced with addition of water. We also observed spontaneous proton dissociation from [HSO] to water only for primary amine-based protic ILs, preceded by the formation of an anion trimer motif.
View Article and Find Full Text PDFLate-Stage Chloride Displacements Enable Access to Peptoids with -Inducing Alkylammonium Side Chains.
Org Lett
August 2023
Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695-8204, United States.
The synthesis of peptoids possessing multiple -inducing monomers with alkylammonium side chains is reported, where chloropropyl side chains are diversified on a solid support by late-stage S2 displacements with amines. The conditions were optimized for a wide variety of primary, secondary, and tertiary alkyl amine nucleophiles. We also demonstrated that multiple chloride displacements could be achieved on sequences possessing -inducing -aryl- and -imino glycine monomers.
View Article and Find Full Text PDFSurface Chemistry of Lead Halide Perovskite Colloidal Nanocrystals.
Acc Chem Res
July 2023
NanoChemistry, Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova, Italy.
ConspectusThe surface chemistry of lead halide perovskite nanocrystals (NCs) plays a major role in dictating their colloidal and structural stability as well as governing their optical properties. A deep understanding of the nature of the ligand shell, ligand-NC, and ligand-solvent interactions is therefore of utmost importance. Our recent studies have revealed that such knowledge can be harnessed following a multidisciplinary approach comprising chemical, structural, and spectroscopic analyses coupled with atomistic modeling.
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