Abstract
Full geometry optimizations have been carried out on A 12B 12 ( A = B, Al; B = N, P) fullerene-like cages with six isolated fourmembered rings and on their completely hydrogenated derivatives. Al 12N 12 has similar features to the previously reported B 12N 12, including short transannular Al···Al contacts. The saturated A 12B 12H 24 systems, with all hydrogen atoms oriented outwards, have large HOMO-LUMO gaps and might be kinetically stable species.
Sign-in/Register to access full text options 
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.
