Abstract
We demonstrated that rare gas (RG) occluded in the C 60 lattice has a chemical interaction with C 60 . In order to evaluate the interaction between RG and C 60 , we calculated the electronic state of C 60 (RG) n (n=1,2,3) crystals. RG atoms in C 60 (RG) (RG=He, Ne, Ar) are neutral, whereas those in C 60 Kr and C 60 Xe have positive Mulliken charges of 0.99 and 1.04, respectively. For C 60 (RG) 2 and C 60 (RG) 3 , a slightly positive charge of 0.02 appeared on Ar atom in C 60 Ar 2 and C 60 Ar 3 . The chemical reaction such as a hydrogenation of CO to CH 4 was found to occur in the nanospace of C 60 -sodium-hydrogen.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
