δ-Bonding Modulates the Electronic Structure of Formally Divalent nd1 Rare Earth Arene Complexes

Dataset

Description

Accompanies manuscript: Chem. Sci. 2024, Accepted Article. DOI: 10.1039/D4SC03005B. Raw data for the XRD, NMR, UV-Vis-NIR, and ATR-IR characterization. Raw input and output files from computational work.
Date made available2 Sept 2024
PublisherUniversity of Manchester Figshare

Keywords

  • Rare earth
  • Divalent
  • lanthanide
  • Arene
  • Delta-bonding
  • DFT
  • CASSCF
  • TD-DFT
  • Valence Electron Configuration

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