Quantum-Chemical Design of Molecular Structures of Tetra-, Penta- and Hexanuclear Metal Clusters Containing Aluminum and 3d-Element Atoms.

ABSTRACT: Various data on the structural and thermodynamic characteristics of polynuclear metal clusters containing atoms of aluminum and various d-elements with the general formula Al_nM_m where (n + m) is 4, 5, or 6, and which can be precursors for the formation of nanoparticles of elemental metals or intermetallic compounds, have been systematized and discussed. It has been noted that each of these metal clusters in principle is able to exist in very diverse structural isomers, differing significantly among themselves in terms of the total energy and spin multiplicity of the ground state, the number of which is determined by both the specific values of n and m, and the nature of d-elements in their compositions. The prese

SUBMITTER: Mikhailov OV 

PROVIDER: S-EPMC7215831 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature