A. P. Timosheva

Aggregation behavior and catalytic activity of systems based on calix[4]resorcinarene derivatives and surfactants. 1. Mixed micellization of aminomethylated calix[4]resorcinarenes with cetyltrimethylammonium bromide in aqueous dimethylformamide

Mixed micellization of amphiphilic aminomethylated calix[4]resorcinarenes and phenols, which are their structural units, with the cationic surfactant cetyltrimethylammonium bromide (CTAB) in aqueous 10—70 vol % DMF decreases the critical micelle concentration; the resulting aggregates are larger than those in the CTAB—DMF—water systems. The micellization of CTAB with aminomethylated calix[4]resorcinarenes proceeds in two steps, while its micellization with phenols is a single-step process. The micellization characteristics depend on the structure and hydrophobicity of the amphiphilic compound and the concentration of DMF.

Conformational analysis and regioisomerism of mono- and diadducts of O,O-diisopropyl isoxazolinophosphonate with C60

Theoretically, cycloaddition of two molecules of phosphorylated nitrile oxide to C60 can give rise to 22 regioisomers. A simple convenient nomenclature was proposed for their classification based on the well-known Hirsh nomenclature. A combination of HPLC, semiempirical quantum-chemical PM3 calculations, and the dipole moment method demonstrated that the equatorial, trans-4(tt), and trans-3(tt) adducts are most probable.

Conformations, polarity, and polarizability of 5,5′-bis-(1,3,6-trimethyIuracylyl)methane

A conformational study of 5,5′-bis-(1,3,6-trimethyluracylyl)methane (1) is carried out using molecular orbital calculations (AM1), molecular mechanics, dipole moment, and electric birefringence methods. The AM1 calculations result in good agreement with the experimental data. Populations of the helical steady states and the ways of their interconversion are determined. Dipole moments, Kerrs constants, optical anisotropies of the title compound, and some related 1,3-dimethyluracyls are measured.

Kerr constants and dipole moments of aminobenzoic acids in dioxane

Aminobenzoic acids in dioxane have been investigated by dipole moment and Kerr effect methods.m-Aminobenzoic acid exists in a solution mainly (∼60 %) in thesyn-form. Inp-aminobenzoic acid, conjugation flattens the pyramidal configuration of the nitrogen atom, which is even more flattened ino-aminobenzoic acid owing to an intramolecular hydrogen bond.

Cotton-Mouton constants for benzoic and phthalic acids

The Cotton-Mouton effect was used to investigate benzoic, phthalic, isophthalic, and terephthalic acids. The additive tensor characteristics of the magnetic susceptibility ellipsoid were obtained for the Car-COOH fragment. Magnetic and electric double refraction, dipole moment, and quantum chemistry methods were used to study the spatial structure of phthalic acid in solution.

Tensor magneto-optical properties of some carboxylate anions

AbstractThe Cotton—Mouton effect was used for the study of benzoate, phthalate. isophthalate, and terephthalate anions. The additive tensor characteristics of optical polarizability and magnetic susceptibility ellipsoids have been calculated for C(Ar)-COO− and

Cotton-mouton constants and spatial structure of 2,2′- and 4,4′-dipyridyls and their salts in solutions

C_{sp^3 } ---COO^ -

COTTON-MOUTON CONSTANTS AND VALENCY OPTICAL SCHEME FOR SALTS OF PYRIDINE, QUINOLINE, AND ISOQUINOLINE

. The spatial structures of mono- and deprotonated phthalate anions have been discussed.