Sphere Currents of Buckminsterfullerene

2005/02/11 by Mikael P. Johansson, Jonas Jusélius, Dage Sundholm · 3 citations
Chemistry · Materials Science · #Carbon Nanotubes in Composites #Fullerene Chemistry and Applications #Synthesis and Properties of Aromatic Compounds

paper · doi:10.1002/anie.200462348

openalex publication_date 2005/02/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/22

Abstract

Global currents: Quantum chemical methodology has been used to investigate the magnetically induced currents of both neutral Buckminsterfullerene and its spherically aromatic +10 ion and has allowed quantitative measurement of the current strengths. Global sphere currents (see picture), instead of local ring currents, are found to be the defining feature of fullerene aromaticity.

Citations

• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
• Electronic structure calculations on workstation computers: The program system turbomole
• Aromaticity and Ring Currents
• Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr
• Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
• Fully optimized contracted Gaussian basis sets for atoms Li to Kr
• Density-functional thermochemistry. III. The role of exact exchange
• Self-Consistent Equations Including Exchange and Correlation Effects
• Ring currents

Cited by

• On the Molecular and Electronic Structures of AsP3and P4
• Aromatic ring current [wikipedia]
• Fullerene [wikipedia]