Volume 244, 2023

Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions

Abstract

Knowing the nature and strength of noncovalent interactions is key to enhancing the synthetic methods and catalytic processes in which they are involved. We present herein the synthesis and characterization of a novel aluminium sodium oximate compound, followed by a comprehensive computational study of the sodium⋯methyl interaction that appears in its crystal structure. Our experimental results have been compared to a large set of structural data retrieved from the Cambridge Structural Database in order to assess the main geometrical preferences of these interactions. Moreover, representative model systems have been studied at the DFT level and the topology of their electron density analysed by means of QTAIM. Although alkali metal⋯methyl short contacts have been traditionally considered as agostic interactions, we have demonstrated here that the physical origin of the attraction relies on the electron-rich carbon atom bound to aluminium and its interaction with the cation.

Graphical abstract: Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions

Associated articles

Supplementary files

Article information

Article type
Paper
Submitted
03 nov. 2022
Accepted
13 déc. 2022
First published
13 déc. 2022

Faraday Discuss., 2023,244, 294-305

Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions

J. Damián, C. Rentero, J. Echeverría and M. E. G. Mosquera, Faraday Discuss., 2023, 244, 294 DOI: 10.1039/D2FD00144F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements