Chemical shielding of H2O and HF encapsulated inside a C60 cage

Chemical shielding of H2O and HF encapsulated inside a C60 cage

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 locat...

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Bibliographic Details
Main Authors: 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
Format: Article
Language:English
Published: Nature Publishing Group 2021-09-01
Series:Communications Chemistry
Online Access:https://doi.org/10.1038/s42004-021-00569-0

Internet

https://doi.org/10.1038/s42004-021-00569-0

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