Quantum chemical modeling of possible reactions of mononuclear iron nitrosyl complex [Fe(SC(NH<Subscript>2</Subscript>)<Subscript>2</Subscript>)<Subscript>2</Subscript>(NO)<Subscript>2</Subscript>]Cl•H<Subscript>2</Subscript>O in an aqueous solution

Possible reactions of the mononuclear iron nitrosyl complex [Fe(SC(NH₂)₂)₂(NO)₂]Сl?H₂O in an aqueous solution were studied using quantum chemical modeling. The electronic structures of the possible intermediates were examined by the NBO and AIM methods. The substitution of the thio ligand in the iron—sulfur nitrosyl complex by a water molecule and the formation of dimeric intermediate complexes were found to facilitate the NO-donation process.     

Classical molecular dynamic simulation of (111) Si and Al surface sputtering under bombardment by polyatomic clusters

The self-sputtering processes of (111) Si and Al surfaces under bombardment by Si _N and Al _N ions and clusters (N = 1−60) with the same energy per particle-projectile atom (1 keV/atom) are studied in this paper. The nonlinear effects produced in the target during the development stage of an atomic-collision cascade and during the postcascade stage are analyzed, and a correlation between these effects and secondary emission characteristics is found. The study has been carried out in the framework of classical molecular dynamics. As a result, a number of features of (111) Si and Al surface sputtering and erosion have been revealed. Thus, it has been established that the sputtering yield increases nonadditively as the size N of the implanted cluster increases at N > 10, which is related to the appearance of nonlinear cascades and the postcascade heat spike, and is accompanied by microcrater formation. It is shown that the implantation of clusters into the Si target leads to the formation of amorphous regions.     

Kinetics of the electrochemical oxidation of 1,1-bis-hydroperoxy-4-methylcyclohexane on platinum

The electrochemical synthesis of 3,12-dimethyl-7,8,15,16-tetraoxadispiro[5.2.5.2]hexadecane (1,2,4,5-tetraoxane) from 1,1-bis-hydroperoxy-4-methylcyclohexane on platinum electrode in a cell with separated and unseparated cathode and anode space in an aprotic solvent is conducted. The kinetics of electrochemical oxidation of 1,1-bis(hydroperoxy)-4-methylcyclohexane is studied. The current yield of the reaction is determined.     

Metal Complexes with the N-Heterocyclic Ligand: Synthesis,Structures, and Thermal Decomposition

Russian Journal of Coordination Chemistry - The heterometallic nickel and iron chalcogenide complexes, (η5-C5H5)Ni(MeIm)S(µ2-SnPr)Mn(CO)2(η5-C5H5) (I) and...     

Annulation of pyrrole ring in 4-acylpyridine-3,5-dicarbonitriles in the presence of ammonia

Chemistry of Heterocyclic Compounds - 4-Acyl-2-amino-6-chloropyridine-3,5-dicarbonitriles underwent heterocyclization in the presence of ammonia in aqueous dioxane medium, involving the...     

Immunomodulatory properties of silver-containing nanocomposite on the basis of polyvinyltriazole

Russian Chemical Bulletin - The water-soluble nanocomposite with the uniform distribution of silver nanoparticles in polymer matrix was synthesized on the basis of poly-1-vinyl-1,2,4-triazole....     

Tunneling of Microwave Radiation through Three-Layer Structures Containing Ferrite Layer

Technical Physics - Tunneling of microwave radiation through a symmetric three-layer structure in which the central ferrite layer is interfaced with two layers of a material with negative...