Charge density, solvent polarity and counterion nature effects on the solution properties of some polycations
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Room temperature ionic liquids comprise an unique class of solvent composed of organic and inorganic-based ions that are molten under ambient conditions. They are characterised by high solvent polarity and low vapour pressure, and can be tailored to have s ...
Pd nanoparticles (2 nm) stabilized in the micelle core of poly(ethylene oxide)-block-poly(2-vinylpyridine) were studied in partial hydrogenation of 2-butyne-1,4-diol. Both unsupported micelles (0.6 kg Pd/m3) and supported ones on g-Al2O3 (0.042% Pd) showed ...
A review is presented concerning the exploitation of spectral information carried by probe pulse. The method reviewed allow observing changes and dynamics of the solute mol. structure in polar solvents. ...
The term polymer brush refers to a well defined arrangement of polymer chains, which are tethered with one end to an interface and usually the surface of a solid substrate. Due to steric repulsion the polymer chains furthermore adopt a defined, stretched c ...
A series of imidazolium salts with the nitrile functional group attached to the alkyl side chain, viz. [C(n)CNmim][X] (where C(n)CNmim is the 1-alkylnitrile-3-methylimidazolium cation and C-n = (CH2)(n), n = 1-4; X = Cl, PF6, and BF4) and [C(3)CNdmim][X] ( ...
A heterobimetallic Ru(II)-Rh(I) complex has been identified as a potent catalyst precursor for the Oppenauer-type oxidation of alcohols. With 0.1-0.5 mol% of this complex and K2CO3 as the co-catalyst, it is possible to oxidize secondary and primary alcohol ...
The energetics of dissocn. reactions of S82+ into stoichiometric mixts. of Sn+, n = 2-7, and Sm2+, m = 3, 4, 6, 10, were investigated by the B3PW91 method [6-311+G(3df)//6-311+G*] in the gas phase and in soln., with solvation energies calcd. using the SCIP ...
The optical properties of mols. in complex environments were studied within hybrid time-dependent d. functional theory / mol. mechanics (TDDFT/MM) simulation studies. The potential energy surface in the excited state is described within time-dependent d. f ...
The aim of this thesis has been to assess the potential of branched polymers as novel exfoliants for layered silicates and their application in polyurethanes. Three different types of –OH functional branched polymers have been studied: dendrimers, hyperbra ...
A heterobimetallic complex, in which a RuCl2(acetone) (PPh3)(2) fragment is connected via three chloro bridges to a (eta(4)-C4Ph4CO)RhCl fragment, has been identified as a potent catalyst precursor for the Oppenauer-type oxidation of alcohols. With 0.1-0.5 ...