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Related Experiment Video

Updated: Jul 12, 2026

$Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene$

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

Published on: August 22, 2017

Theoretical evidence for a c60 "window" mechanism.

R L Murry, G E Scuseria

Science (New York, N.Y.)

|February 11, 1994

Summary

Theoretical calculations reveal a "window" mechanism in fullerenes, allowing atoms and molecules to pass through triplet-excited fullerene surfaces. This discovery aids in creating endohedral fullerene compounds.

Area of Science:

Physical Chemistry
Computational Chemistry
Materials Science

Background:

Fullerenes, like C(60), are carbon allotropes with unique cage-like structures.
Endohedral fullerene compounds encapsulate atoms within the fullerene cage.
Existing methods for endohedral fullerene synthesis often require specific conditions.

Purpose of the Study:

To theoretically investigate a novel mechanism for creating openings in fullerenes.
To provide a theoretical basis for experimental endohedral fullerene synthesis.
To propose an improved method for noble gas insertion into fullerenes.

Main Methods:

Semiempirical calculations
High-level ab initio calculations
Theoretical modeling of fullerene surface dynamics

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Last Updated: Jul 12, 2026

$Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene$

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Published on: August 22, 2017

Preparation and Characterization of C60/Graphene Hybrid Nanostructures

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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

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Main Results:

Evidence for a
window
mechanism on excited fullerene surfaces.
Demonstration that large holes can form in triplet-excited fullerenes.
Identification of a pathway for atom and small molecule passage through fullerenes.

Conclusions:

The
window
mechanism offers a theoretical foundation for endohedral fullerene formation.
The proposed method could enhance the efficiency of noble gas insertion into C(60).
This approach provides a general strategy for synthesizing endohedral fullerene compounds.