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Related Experiment Video

Updated: Jan 26, 2026

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer

Ligand Nano-cluster Arrays in a Supported Lipid Bilayer

Published on: April 23, 2017

Open-shell jellium aromaticity in metal clusters.

Jordi Poater¹, Miquel Solà

¹Departament de Química Inorgànica i Orgànica & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Catalonia, Spain. Jordi.poater@ub.edu.

Chemical Communications (Cambridge, England)

|April 19, 2019

Summary

This summary is machine-generated.

The study extends the jellium model, previously used for spherical aromatic species, to open-shell half-filled systems. This provides new insights into the electronic structure of these compounds.

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Area of Science:

Theoretical Chemistry
Quantum Chemistry
Materials Science

Background:

The Hirsch rule, 2(N + 1)2, successfully described spherical aromatic species.
An extension, the 2N2 + 2N + 1 rule with S = N + 1/2, was developed for open-shell spherical compounds.

Purpose of the Study:

To investigate the applicability of the jellium model with magic numbers to open-shell half-filled systems.
To provide evidence for extending the jellium model beyond its traditional scope.

Main Methods:

Theoretical analysis based on the jellium model.
Examination of electronic structure principles for open-shell systems.

Main Results:

Evidence supporting the extension of the jellium model to open-shell half-filled systems.
Demonstration of the relevance of magic numbers in these extended systems.

Conclusions:

The jellium model, incorporating magic numbers, is a viable framework for understanding open-shell half-filled systems.
This extension broadens the applicability of the jellium model in condensed matter physics and quantum chemistry.