Work

Energetics of carboxylate-metal bonds in polymetallic rings

Year: 2025

Type: article

Abstract: Using collision-induced dissociation mass spectrometry and density functional theory, we assess the energetics of polymetallic [Cr7NiF8(O2CR)16]- anions in vacuo, showing how the carboxylate influences the ring stability. We find the best correlation with the enthalpic contribution to the computed proton affinity of the isolated carboxylates, demonstrating how the stability of polymetallic rings can be predicted in silico.

Source: Chemical Communications

DOI: 10.1039/d5cc01911g

Authors: Niklas Geue, Tim Renningholtz, George F. S. Whitehead, Grigore A. Timco, Cristina Trujillo, Perdita E. Barran, Richard E. P. Winpenny

Institution: University of Manchester

Language: English

Topic: Mass Spectrometry Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Funders: University of Manchester, Horizon 2020 Framework Programme, Faculty of Science and Engineering, University of Manchester, Biotechnology and Biological Sciences Research Council, European Research Council, H2020 European Research Council

Awards: G1154496181, G1328922733, G1546155267, G2245318178, New Mass Spectrometry Methods to Characterise Virus Based Drug Products, G338431185, G3884587345, G5824607704, G8864303772

OpenAlex ID: W4411206550

FWCI: 1.767

Cites: 17

Cited by: 7

Related to: 10