Expanded campestarene hosts for tetra- and dinuclear uranyl(vi) complexes.

Mohammad T Chaudhry Francesco Lelj Mark J MacLachlan

Published in: Chemical communications (Cambridge, England) (2018)

The first expanded campestarenes based on a keto-enamine scaffold have been constructed using uranyl acetate as a template. Macrocycles with six and eight aryl rings in their backbone host dinuclear and tetranuclear uranium(vi) species, respectively. The complexes were characterized by SCXRD, FT-IR, UV-vis, and NMR spectroscopy, and DFT calculations corroborated their structures.

Keyphrases

density functional theory
molecular dynamics
wastewater treatment
high resolution
molecular dynamics simulations
molecular docking
mass spectrometry
genetic diversity
aqueous solution