Author:
Balabai R.M., ,Bondarenko O.O.,Yatsiuta M.V., ,
Abstract
Within the framework of the density functional theory and the ab initio pseudopotential, we have obtained the spatial distributions of the valence electrons density, the electron energy spectra and the atom charge states of 1D-coordination polymers based on arendiyl-bisphosphinic acids and metal ions. Formation of one-dimensional polymer chains takes place under participation of strong intermolecular bonds.
Publisher
National Academy of Sciences of Ukraine (Co. LTD Ukrinformnauka) (Publications)
Subject
Electrical and Electronic Engineering,Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials
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