Semiconductor Physics, Quantum Electronics & Optoelectronics, 26 (1), P. 036-040 (2023).
DOI: https://doi.org/10.15407/spqeo26.01.036

Complex formation of 1D-coordination polymers based on arendiyl-bisphosphinic acid

R.M. Balabai 1*, O.O. Bondarenko 1, M.V. Yatsiuta 2

1Kryvyi Rih State Pedagogical University, 54, Gagarina Ave., 50086 Kryvyi Rih, Ukraine
2Thurso High School, Ormlie Road, Thurso, Caithness, Scotland
*Corresponding author e-mail: balabai@i.ua

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.

Keywords:coordination polymers, arendiyl-bisphosphinic acids, metal ions, density functional theory, electronic-structural properties.

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