Prassides, Kosmas, Keshavarz-K, Majid, Hummelen, Jan Cornelis, Andreoni, Wanda, Giannozzi, Paolo, Beer, Ernst, Bellavia, Cheryl, Cristofolini, Luigi, Ganzalez, Rosario, Lappas, Alexandros, Murata, Yasuo, Malecki, Magdalena, Srdanov, Vojislav and Wudl, Fred (1996) Isolation Structure and Electronic Calculations of the Heterofullerene Salt K 6 C 59 N. Science, 271. 1833 - 1835.

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Abstract

An intercalation compound of azafullerene, K6C59N, was prepared and structurally characterized. It is isostructural with the fullerene compound K6C60, adopts a body-centered- cubic structure (lattice constant a = 11.31 angstroms), and consists of quasi-spherical monomeric (C59N)6− ions. Density functional calculations of the structural and electronic properties confirm the similarity to K6C60 but also suggest a sizable deformation, principally confined in the vicinity of the nitrogen atom, of both the molecular structure and the electron states. These results show that study of the intercalation chemistry of azafullerene promises to reveal a rich family of both n- and p-doped systems with novel conducting and magnetic properties, like their fullerene antecedents.

Item Type:	Article
Schools and Departments:	School of Life Sciences > Chemistry
Depositing User:	EPrints Services
Date Deposited:	06 Feb 2012 20:22
Last Modified:	30 Nov 2012 17:06
URI:	http://sro.sussex.ac.uk/id/eprint/25660

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