Dissemin is shutting down on January 1st, 2025

Published in

Elsevier, Journal of Molecular Structure: THEOCHEM, 1-3(942), p. 71-76

DOI: 10.1016/j.theochem.2009.11.040

Links

Tools

Export citation

Search in Google Scholar

A study on the electronic and structural properties of fullerene C30 and azafullerene C18N12

Journal article published in 2010 by Jie Song, Mathew Parker, George Schoendorff ORCID, Andrew Kus, Mojtaba Vaziri
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Green circle
Preprint: archiving allowed
Upload
Red circle
Postprint: archiving forbidden
Red circle
Published version: archiving forbidden
Policy details
Data provided by SHERPA/RoMEO

Abstract

The structures and electronic properties of both fullerene C30 and the azafullerene C18N12 are studied by ab initio methods. The result demonstrates that the substitution of carbon atoms by nitrogen atoms in C30 can strengthen C–C bonds surrounded by nitrogen atoms and increase the π character. Therefore, azafullerene C18N12 is expected to be more stable. The structure of the most stable C18N12 isomer and its infrared spectroscopy are predicted for the future experimental work.