Yu. N. Matyushin

Enthalpy of formation and explosive properties of 5,6-(3,4-furazano)-1,2,3,4-tetrazine-1,3-dioxide

The enthalpy of formation of 5,6-(3,4-furazano)-1,2,3,4-tetrazine-1,3-dioxide was determined, and the parameters of detonation, energetics, and performance characteristic were estimated.

Energy characteristics of chemical bonds and radical reorganizations

Based on relationships between the mean thermochemical bond energies (MTBEs), bond dissociation energies, and enthalpies of atomization, a method have been proposed for calculation of MTBEs and the energies of reorganization of molecular fragments into radicals (radical reorganization energies) in the course of a monomolecular radical decomposition reaction. The method makes it possible to calculate the radical reorganization energies and MTBEs of organic and organometallic compounds, including polyradicals and aromatic compounds.

The thermochemical properties of transition metal complex salts with 1,5-diaminotetrazole

A method for determining the enthalpies of formation of coordination compounds of Cu(II), Co(II), Zn, and Cd perchlorates was developed. The enthalpies of solution of complex salts in water were measured. The enthalpy of combustion of the 1,5-diaminotetrazole ligand was determined, and the enthalpy of its formation in the standard state calculated. The experimental data were used to calculate the enthalpies of formation of the coordination compounds studied in the standard state.

Bond Dissociation Energies of Nitroethanes and Their Radicals

Based on control experiments and published data, the thermochemical characteristics of ethane nitroderivatives in the standard state and in the gas phase were recommended. The dissociation energies of the bonds in polynitroethanes were determined from the energies of the nonvalence interactions of nitro groups with each other and compared to the available kinetic data. The energies of the nonfunctional interaction of nitro groups were used to calculate the dissociation energies of bonds in nitroethyl radicals.

Enthalpies of formation of nitrodiazoles

The enthalpies of combustion for 3,4,5-trinitro-1Н-pyrazole, 1-methyl-3,4,5-trinitro-1Н-pyrazole, 3,4,5-trinitro-1Н-pyrazole ammonium salt, and ammonium salts of all isomeric dinitropyrazoles and dinitroimidazoles were measured by bomb calorimetry, and the corresponding enthalpies of formation were calculated. The partial contributions to the enthalpies of formation of structurally related compounds were calculated for trinitropyrazole, trinitropyrazolate anion, and anions of isomeric dinitropyrazole and dinitroimidazoles.

Rearrangement energies for radicals of azido nitroaromatic compounds

Dissociation energies of C–N3 bonds have been determined on the basis of data on the enthalpies of formation for a series of azido nitroaromatic compounds and the enthalpies of formation of radicals. Using fundamental relationships of chemical physics, a procedure has been suggested to calculate the energy of rearrangement of molecule fragments into radicals on the basis of special properties of rearrangement energy and the sums of average thermochemical energies for bonds comprising radical fragment in molecule. This calculation procedure provided a possibility to determine the energy of the N3 moiety transformation into N3 radical and the rearrangement energies of nitroaromatic radicals.

Thermochemistry of complex salts of transition metals with tetrazolyl ligands

A combined use of precise combustion calorimetry and reaction calorimetry made it possible to obtain the standard enthalpy of formation of complex salts of transition metals (nickel, zinc, and cadmium) with 2-(1H-1,2,3,4-tetrazol-1-yl)acetohydrazide ligands. The enthalpy of combustion of the ligand was determined using combustion calorimetry, based on which its standard enthalpy of formation was calculated. For measurements by reaction calorimetry, a thermochemical cycle was designed to determine the standard enthalpy of formation of complex salts. The enthalpies of solution in water and in a 0.1 N hydrochloric acid solution of the ligand and complex transition metal salts were measured. Based on these data, the enthalpy of formation of the salts and the enthalpy of formation of three new complex ions were calculated.