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What is required to stabilize Al3+? a gas-phase perspective
journal contribution
posted on 2023-06-08, 08:24 authored by Ljiljana Puskar, Katharine Tomlins, Bridgette Duncombe, Hazel CoxHazel Cox, Anthony J StaceWith a combination of experiment and theory (ab initio and DFT), we demonstrate that the Al3+ cation can be stabilized in the gas phase using ligands, which have the ability to act as powerful a electron donors and electron acceptors. The latter property, which implies that electron density from the aluminum cation moves into ligand antibonding orbitals, has not previously been considered significant when accounting for the behavior of Al3+. Of the three ligands identified as falling into the above category, acetonitrile appears to form the most stable complexes in the gas phase, which is in accord with the long established fact that solid-state complexes with Al3+ are readily isolated. From the results, it is suggested that chain or ring compounds containing the -C equivalent to N group might act as successful sequestering agents for Al3+ from aqueous solutions.
History
Publication status
- Published
Journal
Journal of the American Chemical SocietyISSN
0002-7863Publisher
American Chemical SocietyExternal DOI
Issue
20Volume
127Page range
7559-7569Department affiliated with
- Chemistry Publications
Notes
HC directed the theoretical work at Sussex and interpreted the theory, AJS directed the experimental work at Nottingham, joint corresponding authors. First evidence (theoretical) that a ligand must act as an electron acceptor as well as a sigma donor to stabilize Al3+.Full text available
- No
Peer reviewed?
- Yes
Legacy Posted Date
2012-02-06Usage metrics
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