Communications Chemistry (Sep 2021)
Chemical shielding of H2O and HF encapsulated inside a C60 cage
- Samuel P. Jarvis,
- Hongqian Sang,
- Filipe Junqueira,
- Oliver Gordon,
- Jo E. A. Hodgkinson,
- Alex Saywell,
- Philipp Rahe,
- Salvatore Mamone,
- Simon Taylor,
- Adam Sweetman,
- Jeremy Leaf,
- David A. Duncan,
- Tien-Lin Lee,
- Pardeep K. Thakur,
- Gabriella Hoffman,
- Richard J. Whitby,
- Malcolm H. Levitt,
- Georg Held,
- Lev Kantorovich,
- Philip Moriarty,
- Robert G. Jones
Affiliations
- Samuel P. Jarvis
- Physics Department, Lancaster University
- Hongqian Sang
- Institute for Interdisciplinary Research, Jianghan University
- Filipe Junqueira
- The School of Physics and Astronomy, The University of Nottingham
- Oliver Gordon
- The School of Physics and Astronomy, The University of Nottingham
- Jo E. A. Hodgkinson
- The School of Physics and Astronomy, The University of Nottingham
- Alex Saywell
- The School of Physics and Astronomy, The University of Nottingham
- Philipp Rahe
- Fachbereich Physik, Universität Osnabrück
- Salvatore Mamone
- The School of Physics and Astronomy, The University of Nottingham
- Simon Taylor
- The School of Physics and Astronomy, The University of Nottingham
- Adam Sweetman
- School of Physics and Astronomy, University of Leeds
- Jeremy Leaf
- The School of Physics and Astronomy, The University of Nottingham
- David A. Duncan
- Diamond Light Source, Diamond House, Harwell Science & Innovation Campus, Didcot
- Tien-Lin Lee
- Diamond Light Source, Diamond House, Harwell Science & Innovation Campus, Didcot
- Pardeep K. Thakur
- Diamond Light Source, Diamond House, Harwell Science & Innovation Campus, Didcot
- Gabriella Hoffman
- School of Chemistry, The University of Southampton
- Richard J. Whitby
- School of Chemistry, The University of Southampton
- Malcolm H. Levitt
- School of Chemistry, The University of Southampton
- Georg Held
- Diamond Light Source, Diamond House, Harwell Science & Innovation Campus, Didcot
- Lev Kantorovich
- Department of Physics, King’s College London
- Philip Moriarty
- The School of Physics and Astronomy, The University of Nottingham
- Robert G. Jones
- School of Chemistry, The University of Nottingham
- DOI
- https://doi.org/10.1038/s42004-021-00569-0
- Journal volume & issue
-
Vol. 4,
no. 1
pp. 1 – 7
Abstract
The chemical nature of molecules encapsulated within fullerenes remain debated, with reports proposing a Faraday cage effect. Here, the authors show that H2O and HF molecules encapsulated inside a C60 cage experience a substantial intra-cage electrostatic interaction that results in off-center locations; despite this, the endofullerene’s frontier orbitals is unaffected, resulting in chemical shielding of the caged molecule.
