Abstract

The calculated results of 13C nuclear magnetic resonance shifts in graphite are presented. First the formulation of calculating the chemical shifts and Knight shifts for metallic energy bands systems developed by our group is reviewed. Then the shielding tensor is calculated based on this formalism with use of energy bands calculated by a numerical basis set LCAO Xα method. The calculated results are compared with a previous calculation of NMR shifts for graphite intercalation compounds. We also suggest a new kind of contribution to the NMR shift from the large Landau diamgnetism in graphite.

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 call

Disclaimer: 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.