Related Experiment Video
Updated: Jul 4, 2026

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry
Published on: March 4, 2021
NMR studies on monofunctionalized fullerenyl cation and anion encapsulating a H2 molecule
Michihisa Murata1, Yuta Ochi, Toshikazu Kitagawa
1Institute for Chemical Research, Kyoto University, Uji, Japan.
Abstract:
(1)H NMR chemical shifts of molecular hydrogen encapsulated in dichloromethyl-C(60) cation and (1-octynyl)-C(60) anion were studied to clarify the difference in magnetic shielding effects inside the fullerene cages. The signals of the H(2) molecule inside both cationic and anionic C(60) cages appeared at lower fields than those of the neutral counterparts. These results were interpreted based on the results of NICS calculations. It was demonstrated that the H(2) molecule inside the C(60) cages can serve as an excellent NMR probe of aromaticity for both cationic and anionic C(60) derivatives.
Related Concept Videos
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
¹³C NMR: ¹H–¹³C Decoupling
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
2D NMR: Overview of Heteronuclear Correlation Techniques
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
¹H NMR: Long-Range Coupling
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
