Does φ-Aromaticity exist in prismatic {Bi6}-based clusters?

08 March 2023, Version 2
This content is a preprint and has not undergone peer review at the time of posting.


In a recent paper (Peerless et al. Nat. Chem. 15, 347-356, (2023)), the authors isolated the heterometallic cluster containing at its heart the prismatic {Bi6}-based cluster. To explain its exceptionally high abundance and selective formation tendency (as compared to other Zintl clusters) as well as the unusual magnetic-response properties, the authors introduced the so-called phi-aromaticity. Here, we show that introducing a new type of aromaticity in this case is unjustified and misleading.


Prism topology
Bismuth clusters
π*-π* bonding

Supplementary materials

Supplementary information
The document contains computational methods, input files with optimized XYZ geometries, and additional references.


Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.