H-H Interactions in a Three‐Dimensional Dynamic Fullerene-basedOrganic Framework

DOI

This research plan deals with the use of neutron diffraction for monitoring the exact position and interaction between hydrogen atoms within novel crystalline non-porous materials. This investigation program will be of great interest for the development of relevant materials in the field of materials science. Precisely, a new-fangled family of materials, the non-porous and dynamic fullerene-based materials holded by weak CH··HC interactions recently reported.[1] Theses materials are constituted by hexakis-substituted [60]fullerene cycloadducts, specifically by butyl-malonate substituents. These butyl-malonate branches create a densely packed 3D structure maintained by CH··HC established between the alkyl chains of neighbouring hexakis-[60] fullerenes. Therefore, the information that we will obtain from neutron diffraction regarding these crystalline structures holded together by CH··HC interactions, will be crucial for a better understanding of these promising materials since it will allow us to observe these interactions that cannot be detected by single crystal X-ray diffraction. [1]Fernandez-Bartolome, E. et al. Angewandte Chemie - International Edition 28–31 (2019)

Identifier
DOI https://doi.org/10.5291/ILL-DATA.EASY-557
Metadata Access https://data.ill.fr/openaire/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=10.5291/ILL-DATA.EASY-557
Provenance
Creator Blanco, Angel Fernandez; Velamazan, Jose Alberto Rodriguez; Delgado, Laura Canadillas
Publisher Institut Laue-Langevin
Publication Year 2020
Rights OpenAccess; info:eu-repo/semantics/openAccess
OpenAccess true
Representation
Resource Type Dataset
Size 4 GB
Version 1
Discipline Particles, Nuclei and Fields