Search results for "bonding"
showing 10 items of 996 documents
Tin compounds interaction with membranes of egg lecithin liposomes.
2007
This work is a continuation of earlier research concerning the influence of tin compounds on the dynamic properties of liposome membranes produced with lecithin hen egg yolks (EYL). The experiments were carried out at room temperature (about 25 ∞C). Four tin compounds were chosen, including three organic ones, (CH3)4Sn, (C2H5)4Sn and (C3H7)3SnCl, and one inorganic, SnCl2. The investigated compounds were admixed to water dispersions of liposomes. The content of the admixture changed within the range 0 mol-% to 11mol-% in proportion to EYL. Two spin probes were used in the experiment: 2,2,6,6-tetramethylpiperidine- 1-oxyl (TEMPO) and 2-ethyl-2-(15-methoxy-15-oxopentadecyl)-4,4-dimethyl-3-oxaz…
A new C–C bond formation model based on the quantum chemical topology of electron density
2014
ELF topological analyses of bonding changes in non-polar, polar and ionic organic reactions involving the participation of CC(X) double bonds make it possible to establish a unified model for C–C bond formation. This model is characterised by a C-to-C coupling of two pseudoradical centers generated at the most significant atoms of the reacting molecules. The global electron density transfer process that takes place along polar and ionic reactions favours the creation of these pseudoradical centers at the most nucleophilic/electrophilic centers of the reacting molecules, decreasing activation energies. The proposed reactivity model based on the topological analysis of the changes in electron…
ChemInform Abstract: A New C-C Bond Formation Model Based on the Quantum Chemical Topology of Electron Density
2014
ELF topological analyses of bonding changes in non-polar, polar and ionic organic reactions involving the participation of CC(X) double bonds make it possible to establish a unified model for C–C bond formation. This model is characterised by a C-to-C coupling of two pseudoradical centers generated at the most significant atoms of the reacting molecules. The global electron density transfer process that takes place along polar and ionic reactions favours the creation of these pseudoradical centers at the most nucleophilic/electrophilic centers of the reacting molecules, decreasing activation energies. The proposed reactivity model based on the topological analysis of the changes in electron…
Halonium ions as halogen bond donors in the solid state [xl2]y complexes
2015
The utilization of halogen bonding interactions is one of the most rapidly developing areas of supramolecular chemistry. While the other weak non-covalent interactions and their influence on the structure and chemistry of various molecules, complexes, and materials have been investigated extensively, the understanding, utilizations, and true nature of halogen bonding are still relatively unexplored. Thus its final impact in chemistry in general and in materials science has not yet been fully established. Because of the polarized nature of a Z–X bond (Z=electron-withdrawing atom or moiety and X=halogen atom), such a moiety can act as halogen bond donor when the halogen is polarized enough by…
Halogen-bonded photoresponsive materials
2015
The aim of the present review is to illustrate to the reader the state of the art on the construction of supramolecular azobenzene-containing materials formed by halogen bonding. These materials include several examples of polymeric, liquid crystalline or crystalline species whose performances are either superior to the corresponding performances of their hydrogen-bonded analogues or simply distinctive of the halogen-bonded species. submittedVersion Peer reviewed
Photoresponsive ionic liquid crystals assembled: Via halogen bond: En route towards light-controllable ion transporters
2017
We demonstrate that halogen bonding (XB) can offer a novel approach for the construction of photoresponsive ionic liquid crystals. In particular, we assembled two new supramolecular complexes based on 1-ethyl-3-methylimidazolium iodides and azobenzene derivatives containing an iodotetrafluoro-benzene ring as XB donor, where the iodide anion acted as an XB acceptor. DSC and X-ray diffraction analyses revealed that the preferred stoichiometry between the XB donors and acceptors is 2 : 1, and that the iodide anions act as bidentate XB-acceptors, binding two azobenzene derivatives. Due to the high directionality of the XB, calamitic superanions are obtained, while the segregation occurring betw…
Unexpected Structural Diversity in Alkali Metal Azide-Crown Ether Complexes: Syntheses, X-ray Structures, and Quantum-Chemical Calculations
2005
A series of alkali metal azide-crown ether complexes, [Li([12]crown-4)(N-3)], [Na([15]crown-5)(N-3)], [Na([15]crown-5)(H2O)(2)]N-3, [K([18]crown-6)(N-3)(H2O)], [Rb([18]crown-6)(N-3)(H2O)], [Cs([18]crown-6)(N-3)](2), and [Cs([18]crown-6)(N-3)(H2O)(MeOH)], has been synthesised. In most cases, single crystals were obtained, which allowed X-ray crystal structures to be derived. The structures obtained have been compared with molecular structures computed by density functional theory (DFT) calculations. This has allowed the effects of the crystal lattice on the structures to be investigated. Also, a study of the M-N-terminal metalazide bond length and charge densities on the metal (M) and termin…
Understanding the impact of poly(allylamine) plasma grafting on the filtration performances of a commercial polymeric membrane
2019
Abstract Commercial membranes often exhibit difficulties in rejecting specific ionic species, and especially multivalent cations, due to their usual negative charge. To face this drawback, it is proposed here to functionalize the membrane surface by allylamine plasma polymerization. The impact of this modification on both permeation flux and ion rejection is investigated for single salt solutions and ion mixtures. It is shown that the membrane behaves like a positive membrane from the point of view of cation rejection but the negative charge (and the corresponding electrical field) inside pores leads to high rejection of divalent anions like a negative membrane. This allows a high selectivi…
The water association band as a marker of hydrogen bonds in trehalose amorphous matrices
2017
The relevant role played by residual water in modulating the dynamics and structure of a protein, a matrix and their coupling has been thoroughly studied in bioprotective amorphous saccharide matrices via experiments and simulations. In order to better characterize this residual water and the hydrogen bond structures in which it is involved, in this work infrared spectroscopy experiments are conducted on trehalose-water systems. The properties of water are inferred from the study of a peculiar infrared band, the water association band, which we exploited as a marker of the hydrogen bonds in which water is involved. Our aim was the identification of populations of water molecules, which give…
Properties of Hydrophobic Polymer Melts Tethered to the Water Surface As Determined with in Situ X-ray Reflectivity
1997
Insoluble monolayers of hydrophobic polymers with low glass transition temperature (perfluoropolyethers, polyisoprenes) and a single ionic head group (carboxylic acid, sulfonate) have been characterized at the air/water interface via X-ray reflectivity measurements. The films are considerably thicker (30−420 A) than conventional Langmuir monolayers of low molecular weight substances or polymers with surface active repeat units. The thickness is inversely proportional to the area per head group and is in accordance with a model assuming a solvent-free hydrophobic layer of the same density as the bulk material.