ENDOHEDRAL MAGNETIC SHIELDING IN THE C60 CLUSTER

@inproceedings{Cioslowski1994ENDOHEDRALMS,
  title={ENDOHEDRAL MAGNETIC SHIELDING IN THE C60 CLUSTER},
  author={Jerzy Cioslowski},
  year={1994}
}
The very recent synthesis of the [sup 3]He C[sub 60] species has created the exciting opportunity for measuring shielding in the interior of the C[sub 60] cluster. Here we report on the first rigorous electronic structure calculations on the NMR chemical shift of the endohedral [sup 3]He atom. Good agreement with the experimental data is obtained, and the differences among the previous theoretical results are resolved. The present calculations open the avenue for accurate predictions of NMR… CONTINUE READING