Search results for "ALK"

2021

Six bile acid alkyl amide derivatives were studied with respect to their gelation properties. The derivatives were composed of three different bile acids with hexyl or cyclohexyl side chains. The gelation behaviour of all six compounds were studied for 36 solvents with varying polarities. Gelation was observed mainly in aromatic solvents, which is characteristic for bile-acid-based low molecular weight gelators. Out of 108 bile acid-solvent combinations, a total of 44 gel systems were formed, 28 of which from lithocholic acid derivatives, only two from deoxycholic acid derivatives, and 14 from cholic acid derivatives. The majority of the gel systems were formed from bile acids with hexyl si…

Butene Isomerization and Double-Bond Migration on the H-ZSM-5 Outer Surface: A Density Functional Theory Study

2011

Isomerization of trans-but-2-ene to cis-but-2-ene and double bond migration of trans-but-2-ene to but-1-ene have been investigated by means of density functional theory calculations on a suitable model of H-ZSM-5 surface. The study has been afforded on outer surface sites by considering the hydroxyl group of either a SiO2(OH)2 or a AlO2H(OH)2 moiety. On these outer surface sites, one alkoxide species occurs as a stable intermediate both along the isomerization and double bond migration pathways. The latter process could also occur via a single-step mechanism, which involves a six-center transition state. The energy barriers of the outer surface processes above do not take any advantage by t…

Langmuir–Blodgett films based on inorganic molecular complexes with magnetic or optical properties

2005

Langmuir and Langmuir–Blodgett (LB) films of a great variety of molecular metal complexes with interesting magnetic or optical properties have been prepared in the last few years. Some of the results obtained by our group and others are summarized in this article. (i) LB films of polyoxometalates (POM) were first prepared taking advantage of the adsorption properties of these cluster anions along a positively charged monolayer of an organic surfactant spread in water. A correct choice of the POM allowed the preparation of LB films with magnetic, electrochromic, or luminescent properties. Besides this semiamphiphilic method, two new methods to prepare LB films of POMs have been developed by …

The Role of Planarity versus Nonplanarity in the Electronic Communication of TCAQ-Based Push–Pull Chromophores

2018

Donor-acceptor-substituted alkynes, endowed with 11,11,12,12-tetracyano-9,10-anthraquinodimethane (TCAQ) and N,N-dimethylaniline (DMA) units, have been further functionalized by a [2+2] cycloaddition with tetracyanoethylene (TCNE) followed by a subsequent retro-electrocyclization to form distorted nonplanar structures with bridging 1,1,4,4-tetracyanobuta-1,3-diene (TCBD) units. Comprehensive spectroscopic, electrochemical, and computational studies have been carried out to compare the electronic communication in planar (alkyne bridges) and nonplanar (TCBD bridges) TCAQ-based push-pull chromophores. Cyclic voltammetry and UV/Vis absorption measurements confirm the electronic communication be…

2020

Tristriazolotriazines (TTTs) with a threefold alkoxyphenyl substitution were prepared and studied by DSC, polarized optical microscopy (POM) and X-ray scattering. Six pentyloxy chains are sufficient to induce liquid-crystalline behavior in these star-shaped compounds. Thermotropic properties of TTTs with varying substitution patterns and a periphery of linear chains of different lengths, branching in the chain and swallow-tails, are compared. Generally, these disks display broad and stable thermotropic mesophases, with the tangential TTT being superior to the radial isomer. The structure–property relationships of the number of alkyl chains, their position, length and structure were studied.

Structure and dynamics of dibutylphosphate/n-propylamine ionic liquid: A multi-scale theoretical study

2021

Abstract Owing to the amphiphilic nature of their constituent molecules, binary mixtures of pure liquid surfactants are usually characterized by enhanced nano-segregation and thus can exhibit interesting transport properties and complex macroscopic behavior. In this ambit it was recently shown by Turco Liveri et al. (2018) that mixtures of short aliphatic chains compounds at room temperature, such as dibutyl phosphate (DBP) and n-propylamine (PA) liquids, display ionic liquid–like behavior ascribed to phosphate-to-amine proton transfer. To gain a detailed molecular picture of the system structure and dynamics and to understand the molecular mechanisms at the basis of the observed behavior, …

Homocoupling of terminal alkynes on calcite (10.4)

2018

Abstract On-surface synthesis has been identified as highly versatile strategy to prepare molecular structures on surfaces with single-atom precision. Inspired by the classical Glaser coupling, homocoupling of terminal alkynes has attracted great attention for on-surface synthesis. This coupling is known for providing a rigid and linear linkage, which is highly interesting for the synthesis of molecular wires. For molecular wire formation, non-conductive substrates are needed for electronic decoupling. So far, however, coupling of terminal alkynes has not been performed on a bulk insulator surface. Here, we present an atomic force microscopy study, indicating that 4,4″-diethynyl-[1,1′:4′,1″…

Chemical modification of Topaz surfaces

1999

In chemisorption, one is typically faced with the problem that the two-dimensional structure of the organic layer does not match the structure of the inorganic substrate. This work describes the first steps toward an induced epitaxial correlation of organic compounds on an inorganic surface. The idea of this work was to use a single crystal with a two-dimensional surface structure, Topaz (001), that matches an alkyl chain lattice better than existing substrates. X-ray reflectivity and FTIR experiments prove the surface modification of the Topaz, which is probably an etherification of the reactive OH-groups on the Topaz (001) surface.

A study of the enolization of some alkyl ketones in lyomesophases formed by alkylammonium surfactants

1988

The kinetics of enolization of acetone, 3-pentanone, and 6-undecanone have been studied in lyotropic systems in the isotropic, nematic, and lamellar phases. The data, analysed in terms of spontaneous and acid-catalyzed rate constants, do not show any relevant influence of the physical nature of the phase. Effects are instead observed in relation to the length of the alkyl chains of the ketones and the type of the amphiphilic molecule. 6-undecanone has a surprising effect in stabilizing ordered mesophases.

Structural variations of liquid crystalline polymers with phasmidic-type mesogens

1989

Abstract The fixation of phasmidic-type mesogens through spacer groups to polysiloxane backbones provided a method of obtaining liquid crystalline polymers with phasmidic mesogens as side groups. The polymer 6b showed a bilayer structure in the mesophase range. The tendency to form liquid-crystalline phase depends on the number and the length of alkoxy substituents.