What is the nature of the uranium(iii)-arene bond?

ABSTRACT: Complexes of the form [U(η⁶-arene)(BH₄)₃] where arene = C₆H₆; C₆H₅Me; C₆H₃-1,3,5-R₃ (R = Et, iPr, tBu, Ph); C₆Me₆; and triphenylene (C₆H₄)₃ were investigated towards an understanding of the nature of the uranium-arene interaction. Density functional theory (DFT) shows the interaction energy reflects the interplay between higher energy electron rich π-systems which drive electrostatic contributions, and lower energy electron poor π-systems which give rise to larger orbital contributions. The interaction is weak in all cases, which is consistent with the picture that emerges from a topological analysis of the electron dens

SUBMITTER: Chowdhury SR 

PROVIDER: S-EPMC10829017 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature