Abstract

The method of parameterization of the electron energy spectrum of molecules is used to theoretically study the specific features of the energy spectrum of a family of molecules of the monometallic coordination compound of terpyridine with Rh, Ru, and Pt atoms and the electron transport properties of molecular single-atom transistors based on this family of molecules. The coefficients for the parametric shell model of the energy spectrum are obtained for the studied molecules. It is demonstrated that the electron-transport characteristics of molecular single-atom transistors with atoms of transition metals with similar numbers of d electrons have similar shapes and features.

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