DFT study of α-Keggin, lacunary Keggin, and ironII–VI substituted Keggin polyoxometalates: the effect of oxidation state and axial ligand on geometry, electronic structures and oxygen transfer
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra05189f
Abstract: Herein, the geometry, electronic structure, Fe–ligand bonding nature and simulated IR spectrum of α-Keggin, lacunary Keggin, iron(II/III)-substituted and the important oxidized high-valent iron derivatives of Keggin type polyoxometalates have been studied using the density functional… read more here.
Keywords: lacunary keggin; keggin lacunary; keggin; geometry electronic ... See more keywords