Abstract
Using London atomic orbitals and a recent parallel implementation of our second-order ab initio property code, we have determined the Hartree–Fock limit for the magnetizability of C 60 to be −359±5 ppm cgs, in excellent agreement with earlier basis-set limit extrapolations. Using diamagnetic exaltation as a criterion for aromaticity, our calculations show that C 60 is an aromatic molecule with a relative diamagnetic exaltation greater than that of benzene.
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.
