Published in Journal of Biomolecular NMR
A Mathematica package (ALASKA) has been developed to simplify the measurement of protein folding kinetics by analysis of 1H NMR lineshape analysis. This package reads NMR data in ASCII format and can simulate an aromatic 1 NMR spectrum with or without lineshape broadening from chemical exchange. We describe the analysis of a urea denaturation serie...
Published in Russian Chemical Bulletin
The kinetics and mechanism of circumambulatory rearrangements of N-centered (NCS) and S-centered (SPh, SC3Ph3, SC(OEt)=S) groups in corresponding derivatives of 1,2,3-triphenylcyclopropene and cycloheptatriene were studied by dynamic1H and13C NMR spectroscopy. Migrations of the isothiocyanate group occur by the dissociation-recombination mechanism ...
Rotational isomerism in the conjugate carbanion of p-trifluoromethanesulfonylbenzyltriflone was studied by dynamic NMR spectroscopy (1H, 13C). Treatment of the experimental spectra affords the activation parameters of the processes. The activation enthalpies (48 kJ mol-1) for the rotational barrier around the CAr - C carbon- carbon bond are indicat...
Published in Russian Chemical Bulletin
The reaction of triallylborane with 3-phenylprop-1-yne at 135–140 °C followed by treatment of the reaction mixture with MeOH afforded 7-benzyl-3-methoxy-3-borabicyclo[3.3.1]non-6-ene (1) in 81% yield. Hydroboration of compound1 with a solution of BH3 in THF yielded the tetrahydrofuran complex of 2-phenyl-1-boraadamantane (2). The reactions of trime...
Axial-equatorial conformational proportions for cyclohexyl-N,N-dimethyl carbamate have been measured, for the first time, by the Eliel method, ¹H and 13C dynamic nuclear magnetic resonance (DNMR). The results were compared against those determined by theoretical calculations. By the Eliel method at least five experimentally independent measureables...
The tautomerism of five symmetrically substituted 2,2'-bis-benzimidazoles [5(6),5'(6')-tetramethyl- (1); 5(6),5'(6')-dimethyl-(2); 5(6),5'(6')-dichloro- (3); 5(6),5'(6')-dimethoxy- (4) and 4(7),4'(7')-dimethyl-2,2'-bis-benzimidazole (5)], was studied by means of ¹H NMR spectroscopy at variable temperatures, and the influence of the substituents on ...
Published in Journal of inclusion phenomena and macrocyclic chemistry
1H and 13C NMR and 1H NMR relaxation spectroscopy (RS)measurements are reported for the CDCl3 and CD2Cl2 solutions of [La(NO3)3(diaza-18-crown-6)] ({bf I}), [Pr(NO3)3(diaza-18-crown-6)] ({bf II}) and [Nd(NO3)3(diaza-18-crown-6)] ({bf III}) complexes. Temperature dependencies of the 1H NMR spectra of II have been analyzed using the dynamic NMR metho...
Published in Journal of inclusion phenomena and macrocyclic chemistry
The molecular structure, dynamics and paramagnetic properties of the complex cations [Ln(ptfa)2 (18-crown-6)]+ in deuterated toluene were studied for Ln = La, Ce, Pr and Nd. The activation enthalpy values of 68 ± 5, 55 ± 15 and 60 ± 13 kJ mol-1 for the 18-crown-6 conformationalinversion processes for the complexcations of Ce, Pr and Nd, respectivel...
Abstract This thesis is a summary of five papers, containing equilibrium and structure studies of aqueous molybdate and peroxomolybdate species. Some of the peroxomolybdate species have also been studied in terms of their dynamic and catalytic properties. The primary objective was to characterize species with potential catalytic activity, with emph...
Published in Russian Chemical Bulletin
Stereochemical nonrigidity of the hexacoordinated (O—Ge)-chelate bis(2-oxo-1-hexahydroazepinylmethyl)dichlorogermane in CDCl3 was studied by dynamic NMR. The activation parameters of the intramolecular rearrangement at the coordination center are ΔG#298 = 12.3±0.2 kcal mol–1, ΔH# = 16.9±0.2 kcal mol–1, and ΔS# = 15.3±0.7 cal mol–1 K–1. The dissocia...
