Mechanism of Deuterium Distribution in Ethanols

Deuterium distribution in ethanols produced by sulfuric acid hydration of ethylene was studied by quantitative NMR spectroscopy.     

Thermochemistry of Dissolution of Glucose in Binary Systems N-Methylmorpholine N-Oxide Monohydrate-Aprotic Solvent

Glucose enthalpies of solution in binary systems N-methylmorpholine N-oxide monohydrateaprotic solvent at 75°C are measured.     

Stabilization of Graphite Nitrate by Intercalation of Organic Compounds

New thermally stable intercalation compounds of graphite were obtained by the further intercalation of a series of organic compounds into graphite nitrate. The stabilization is explained by the formation of hydrogen bonds between the protonated form of the modifying substance and neutral surrounding molecules.     

Reduction of Substituted 5-(Nitromethyl)-3-phenyl-1,2,4-oxadiazoles

Russian Journal of Organic Chemistry -     

Cyclopentanone in the Synthesis of Fused 4,7-Phenanthroline Derivatives

Catalytic condensation of cyclopentanone with arylmethylene(6-quinolyl)amines gave previously unknown 8-aryl-10,11-dihydro-9H-cyclopenta[a]-4,7-phenanthrolines.     

Vibrational spectra and structure of 4-cyano-4′-pentalkoxybiphenyl in different physical states

The polymorphism, conformation mobility and structure of 4-cyano-4′-pentalkoxybiphenyl (5OCB) in different physical states are studied by IR spectroscopy. The spectra were measured in the frequency range 400–4000 cm⁻¹ at temperatures from 300 to 350 K. The IR spectra of 5OCB are modeled using the concept of conformational mobility of these molecules. An analysis of the experimental and theoretical spectra reveals absorption bands whose spectroscopic parameters are sensitive to variations of temperature (experiment) and conformation (theory); a relationship between these changes is established. It is concluded that the polymorphism of 5OCB is of conformation type. In the solid crystalline state, 5OCB molecules have conformations with a planar biphenyl fragment; the angle of orientation of the plane of the carbon framework of the alkyl radical relative to the biphenyl fragment decreases as the temperature increases from 35° in the solid crystalline state to 10° in the liquid crystalline and isotropic liquid states. In both of these states the biphenyl fragment becomes nonplanar. The angle between the phenyl rings is up to 30°. Saratov State University. Institute of Physics, Ukrainian Academy of Sciences. Samarkand State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 1, pp. 55–60, January–February, 1998. This work was supported by RFFR grant No. 97-03-32175a.     

Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: a computational approach

A density functional study of exchange coupling was carried out for a series of heterobinuclear oximato-bridged transition metal complexes. Model calculations were used to examine the influence of the electronic configuration of the metal atoms on the coupling constants. This analysis was complemented by a study of the variation of the coupling constant with the most usual structural distortions within this family of compounds. The influence of the nature of the terminal ligands as well as that of the symmetry on the bridge were also investigated.