Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands.

ABSTRACT: The effectiveness of nanocrystals in many applications depends on their surface chemistry. Here, we leverage the atomically precise nature of zirconium and hafnium oxo clusters to gain fundamental insight into the thermodynamics of ligand binding. Through a combination of theoretical calculations and experimental spectroscopic techniques, we determine the interaction between the M₆O₈ ⁸⁺ (M = Zr, Hf) cluster surface and various ligands: carboxylates, phosphonates, dialkylphosphinates, and monosubstituted phosphinates. We refute the common assumption that the adsorption energy of an adsorbate remains unaffected by the surrounding adsorbates. For example, dialkylphosphinic acids are too sterically hindered to yield complete ligand exchange, even though a singl

SUBMITTER: Unniram Parambil AR 

PROVIDER: S-EPMC11457152 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature