The phase transfer catalysed nucleophilic displacement of 1,3-bis(bromomethyl)benzene, 2-methoxy-5methyl-1,3-bis(bromomethyl)benzene (2) and 1,4-bis(bromomethyl)benzene with 2-mercaptoethanol gives the respective diols 3, 4 and 12 (80–85%), which undergo intermolecular cyclodehydrochlorination with thiodiglycolyl dichloride and pyridine-2,6-dicarbonyl dichloride?HCl to provide m-phenylene (7–10...

Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixtures without salt in good solvents. Static structure factors for the segment density and charge density are calculated and used to study the role of fluctuations in the electrostatic and chemical potential fields beyo...

Complexation of a polyelectrolyte with an oppositely charged spherical macroion is studied for both salt free and salty solutions. When a polyelectrolyte winds around the macroion, its turns repel each other and form an almost equidistant solenoid. It is shown that this repulsive correlations of turns lead to the charge inversion: more polyelectrolyte winds around the macroion than it is necess...

In this work, by using density functional theory, the adsorption of Nitramide (NH2NO2) molecule on the surface of pristine, B, As and B&As doped (4,4) armchair aluminum nitride nanotube (AlNNTs) is investigated. From optimized structures the adsorption energy, deformation energy, natural bond orbital (NBO), atom in molecule (AIM), quantum parameters, reduced density gradient (RDG) and molecular...

in the present study we search potential of pt-decorated graphene (ptg) as a new nanostructure adsorbent for nitrous oxide (n2o) using density functional theory (dft). after fully relaxation of different possible orientations of n2o-ptg complex, we distinguished two optimized configurations for this system; 1- terminal n-side of gas is oriented towards pt so that the molecule axis is perpendicu...

The synthesis, complexation properties and catalytic activities under phase-transfer (PT) conditions of differently substituted cyclohexapeptoids are reported. Association constants, for small cationic alkali, and catalytic performances, in a model nucleophilic substitution, are comparable to those of representative crown ethers. Noteworthy, the N-[2-(2-methoxyethoxy)ethyl] side chain derivativ...

The complexation behaviour of an imidazolium based ionic liquid surfactant (ILS) 3-methyl-1-dodecylimidazolium chloride, [C12mim][Cl], and its amide and ester functionalized counterparts 3-(2-(dodecylamino)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium chloride, [C12Amim][Cl], and 3-methyl-1-dodecyloxycarbonylmethylimidazolium chloride, [C12Emim][Cl], with a model protein gelatin (G) in aqueous soluti...

Complexation of Ag(i) cation to a series of substituted anthracenes (AN), phenanthrenes (PH), pyrenes (PY) and cyclopenta[a]phenanthrenes (CPaPH) was studied in competitive experiments by allowing PAHs to react in pairs with AgOTf. The resulting complexes were examined by electrospray mass spectrometry (ES-MS) to determine relative abundances of the corresponding monomeric and dimeric complexes...